Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL510833 | 0.89 | — | — | |
| Formaldehyde SCHEMBL28064264 | 0.82 | KDM4E (0.43) | KDM4EALDH1A1HPGD | |
| SCHEMBL3424471 | 0.79 | AHR (0.50) | AHRCYP1A2TSHRNTSR1GPR55 | |
| SCHEMBL21693358 | 0.78 | AHR (0.47) | AHRKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL13113555 | 0.77 | AHR (0.56) | AHRALDH1A1CYP1A2TSHRCYP2A6 | |
| SCHEMBL26292428 | 0.77 | AHR (0.41) | AHRNTSR1GPR55ALOX5MAOA | |
| SCHEMBL5586915 | 0.75 | ALDH1A1 (0.35) | KDM4EALDH1A1HPGDPOLBRECQL | |
| SCHEMBL28246295 | 0.75 | MAOA (0.55) | AHRKDM4EALDH1A1HPGDCYP1A2 | |
| 1-Naphthol SCHEMBL28752734 | 0.74 | CYP1A2 (0.53) | KDM4EALDH1A1HPGDCYP1A2TSHR | |
| Propionic Acid SCHEMBL3428439 | 0.72 | SMN1; SMN2 (0.38) | KDM4EALDH1A1HPGDCYP1A2TSHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2807171-B1 | HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE | NOVARTIS AG (CH) | 2020-08-12 | — | — | EP | disclosed |
| US-20170145032-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2017-05-25 | — | — | US | disclosed |
| US-20170145032-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2017-05-25 | — | — | US | disclosed |
| US-9624243-B2 | Heterocyclic compounds and methods of their use | NOVARTIS AG (CH) | 2017-04-18 | — | — | US | disclosed |
| US-9624234-B2 | Heterocyclic compounds and methods for their use | NOVARTIS AG (CH) | 2017-04-18 | — | — | US | disclosed |
| US-9624234-B2 | Heterocyclic compounds and methods for their use | NOVARTIS AG (CH) | 2017-04-18 | — | — | US | disclosed |
| US-9624243-B2 | Heterocyclic compounds and methods of their use | NOVARTIS AG (CH) | 2017-04-18 | — | — | US | disclosed |
| US-20150218180-A1 | Heterocyclic compounds and methods for their use | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2015-08-06 | — | — | US | disclosed |
| US-20150218180-A1 | Heterocyclic compounds and methods for their use | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2015-08-06 | — | — | US | disclosed |
| US-20140378430-A1 | Heterocyclic Compounds and Methods of Their Use | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2014-12-25 | — | — | US | disclosed |
| US-20140378430-A1 | Heterocyclic Compounds and Methods of Their Use | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2014-12-25 | — | — | US | disclosed |
| WO-2013110135-A1 | HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2013-08-01 | — | — | WO | disclosed |
| WO-2013102242-A1 | HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2013-07-11 | — | — | 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 (3 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-20140378430-A1 | Heterocyclic Compounds and Methods of Their Use | AGTR2, AGTR1, BDKRB2 | AHR 389/4885KDM4E 2644/4885ALDH1A1 2993/4885 |
| US-20170145032-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE | AGTR2, AGTR1, BDKRB2 | AHR 389/4885KDM4E 2644/4885ALDH1A1 2993/4885 |
| US-20150218180-A1 | Heterocyclic compounds and methods for their use | AGTR2, AGTR1, OPRL1 | AHR 513/4885KDM4E 3369/4885ALDH1A1 2203/4885 |
“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.