Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.49 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9272721 | 0.86 | TNF (0.53) | KCNA3LMNAKDM4CALDH1A1HTT | |
| SCHEMBL14340747 | 0.85 | KCNA3 (0.50) | KCNA3LMNAKDM4ECYP1A2CYP3A4 | |
| SCHEMBL14124559 | 0.82 | TRPV1 (0.47) | KCNA3LMNAKDM4ECYP1A2CYP3A4 | |
| SCHEMBL7226299 | 0.80 | SIRT2 (0.50) | KCNA3LMNAKDM4EALDH1A1HTT | |
| SCHEMBL441860 | 0.79 | KCNA3 (0.58) | KCNA3LMNAKDM4EALDH1A1HTT | |
| SCHEMBL29860318 | 0.79 | KCNA3 (0.58) | KCNA3LMNAKDM4EALDH1A1HTT | |
| SCHEMBL12338899 | 0.79 | LMNA (0.59) | KCNA3LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6855895 | 0.79 | SIRT2 (0.47) | KCNA3LMNAKDM4ECYP1A2CYP3A4 | |
| Water SCHEMBL27705785 | 0.77 | KCNA3 (0.56) | KCNA3LMNAKDM4EALDH1A1HTT | |
| SCHEMBL96458 | 0.77 | KCNA3 (0.54) | KCNA3LMNAKDM4ECYP1A2CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0687267-B1 | PYRROLO-PYRIDINE DERIVATIVES AS LIGANDS OF DOPAMINE RECEPTOR | MERCK SHARP & DOHME (GB) | 1999-09-01 | — | — | EP | disclosed |
| US-5700809-A | Pyrrolo-pyridine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1997-12-23 | — | — | US | disclosed |
| EP-0687267-A1 | PYRROLO-PYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1995-12-20 | — | — | EP | disclosed |
| WO-1994020459-A2 | PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-15 | — | — | WO | disclosed |
| US-4031106-A | Synthesis of aromatic amines by reaction of aromatic compounds with ammonia | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-06-21 | — | — | US | disclosed |
| US-4001260-A | NICKEL-NICKEL OXIDE-ZIRCONIUM OXIDE AMINATION CATALYST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-01-04 | — | — | US | disclosed |