Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28176076 | 0.87 | BCAT2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL9649698 | 0.85 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL7807426 | 0.85 | LMNA (0.47) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL27298860 | 0.84 | CCR2 (0.37) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL28324465 | 0.81 | MAPT (0.34) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL9174235 | 0.81 | L3MBTL1 (0.38) | MAPTHPGDALDH1A1LMNAMEN1 | |
| Methane SCHEMBL27291959 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL28165913 | 0.79 | ALDH1A1 (0.43) | CYP1A2CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL103521 | 0.78 | ALDH1A1 (0.44) | CYP1A2MAPTATMALDH1A1KMT2A | |
| SCHEMBL8493511 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109456255-A | A kind of synthetic method and application of vismodegib intermediate | 南京天越星生物技术有限公司 | 2019-03-12 | — | — | CN | claimed |
| CN-107200708-A | A kind of preparation method of vismodegib | 新发药业有限公司 | 2017-09-26 | — | — | CN | claimed |
| CN-113387942-A | Pyrazole carboxylic ester compound and application thereof | 沈阳中化农药化工研发有限公司 | 2021-09-14 | — | — | CN | disclosed |
| CN-109456255-A | A kind of synthetic method and application of vismodegib intermediate | 南京天越星生物技术有限公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-107200708-A | A kind of preparation method of vismodegib | 新发药业有限公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-100360208-C | Method for producing specific crystalline modifications of polymorphous substances | BAYER CROPSCIENCE AG (DE) | 2008-01-09 | — | — | CN | disclosed |
| US-7135574-B2 | Converting substituted mono or bicyclic lactones in presence of an amine base and a catalytic amount of a cyanide or alkali or alkaline metal alcoholate, to a salt, reacting the salt with carbonyl compound containing an organic substituent | SYNGENTA CROP PROTECTION, INC. (US) | 2006-11-14 | — | — | US | disclosed |
| US-20050159314-A1 | Process for the preparation of cyclic diketones | SCHNEIDER HERMANN (CH) | 2005-07-21 | — | — | US | disclosed |
| US-6855831-B2 | Process for the preparation of cyclic diketones | SYNGENTA CROP PROTECTION, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-20030199708-A1 | Process for the preparation of cyclic diketones | SYNGENTA CROP PROTECTION, INC. | 2003-10-23 | — | — | US | disclosed |
| EP-1352901-A2 | Process for the preparation of cyclic diketones | Syngenta Participations AG (CH) | 2003-10-15 | — | — | EP | disclosed |
| US-5804532-A | REACTING A BENZOYL ISOXAZOLE WITH A BASE | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1998-09-08 | — | — | US | disclosed |
| US-5747424-A | HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-05-05 | — | — | US | disclosed |
| CN-1037058-C | Herbicide composition and use thereof | RHONE POULENC AGRICULTURE (GB) | 1998-01-21 | — | — | CN | disclosed |
| US-5656573-A | Herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-08-12 | — | — | US | disclosed |
| US-5650533-A | Intermediates to herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-07-22 | — | — | US | disclosed |
| EP-0418175-B1 | Isoxazoles herbicides | RHONE POULENC AGRICULTURE (GB) | 1996-07-17 | — | — | EP | disclosed |
| EP-0496630-B1 | 2-Cyano-1,3-dione herbicides | RHONE POULENC AGRICULTURE (GB) | 1995-06-07 | — | — | EP | disclosed |
| EP-0496630-A1 | 2-Cyano-1,3-dione herbicides | RHONE-POULENC AGRICULTURE LTD. (GB) | 1992-07-29 | — | — | EP | disclosed |
| EP-0418175-A2 | Isoxazoles herbicides | RHONE POULENC AGRICULTURE LTD. (GB) | 1991-03-20 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030199708-A1 | Process for the preparation of cyclic diketones | XDH, NDUFS6, SQOR | CYP1A2 273/4885CYP3A4 146/4885CYP2D6 122/4885 |
| US-20050159314-A1 | Process for the preparation of cyclic diketones | NDUFS6, NDUFS4, NDUFV1 | CYP1A2 264/4885CYP3A4 105/4885CYP2D6 94/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.