Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL969080 | 0.77 | CYP2A6 (0.44) | CYP2A6FLT3SMN1; SMN2HPGDTYR | |
| SCHEMBL28643561 | 0.73 | CYP2A6 (0.47) | CYP2A6FLT3SMN1; SMN2HPGDTYR | |
| SCHEMBL1419067 | 0.71 | KDM4E (0.45) | CYP2A6FLT3SMN1; SMN2HPGDTYR | |
| SCHEMBL7699924 | 0.70 | FLT3 (0.48) | CYP2A6FLT3SMN1; SMN2HPGDTYR | |
| SCHEMBL27904021 | 0.69 | CYP2A6 (0.53) | CYP2A6FLT3SMN1; SMN2HPGDTYR | |
| SCHEMBL14635507 | 0.69 | CYP2A6 (0.44) | CYP2A6FLT3SMN1; SMN2HPGDTYR | |
| SCHEMBL2853762 | 0.69 | CYP2A6 (0.44) | CYP2A6FLT3SMN1; SMN2HPGDTYR | |
| SCHEMBL2855182 | 0.69 | CYP2A6 (0.44) | CYP2A6FLT3SMN1; SMN2HPGDTYR | |
| SCHEMBL10823736 | 0.68 | NPC1 (0.54) | FLT3SMN1; SMN2HPGDMAOBALDH1A1 | |
| Hydrochloric Acid SCHEMBL28078666 | 0.68 | CYP2A6 (0.43) | CYP2A6FLT3SMN1; SMN2HPGDTYR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7786079-B2 | Substituted nonadepsipeptides | AICURIS GMBH & CO. KG. (DE) | 2010-08-31 | — | — | US | disclosed |
| EP-1809653-B1 | SUBSTITUTED NONADEPSIPEPTIDES | AICURIS GMBH & CO KG (DE) | 2010-01-20 | — | — | EP | disclosed |
| US-20080058251-A1 | Substituted nonadepsipeptides | BAYER HEALTHCARE AG (DE) | 2008-03-06 | — | — | US | disclosed |
| EP-1809653-A1 | SUBSTITUTED NONADEPSIPEPTIDES | AiCuris GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006042654-A1 | SUBSTITUTED NONADEPSIPEPTIDES | AICURIS GMBH & CO. KG (DE) | 2006-04-27 | — | — | WO | 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 (1 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-20080058251-A1 | Substituted nonadepsipeptides | VIP, DNPEP, LNPEP | CYP2A6 3442/4885FLT3 786/4885SMN1; SMN2 1991/4885 |
“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.