Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 4/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8845515 | 0.82 | HTR1D (0.33) | — | |
| SCHEMBL8323383 | 0.72 | KDM4E (0.50) | SOS1CYP2C9ALDH1A1CCR1CYP3A4 | |
| SCHEMBL8322959 | 0.69 | SLC6A2 (0.41) | SOS1CYP2C9ALDH1A1MCHR1CYP2D6 | |
| SCHEMBL17275595 | 0.68 | RAPGEF4 (0.45) | KDM4E | |
| SCHEMBL19701989 | 0.68 | SOS1 (0.50) | SOS1CYP4F2CYP4A11CYP2C9ALDH1A1 | |
| SCHEMBL21143758 | 0.67 | MEN1 (0.43) | SOS1ENPP2CYP4F2CYP4A11CYP2C9 | |
| SCHEMBL578234 | 0.66 | CA12 (0.56) | ALDH1A1CCR1CYP3A4CYP2D6 | |
| SCHEMBL13923623 | 0.66 | MEN1 (0.61) | ALDH1A1MCHR1CCR1KDM4E | |
| SCHEMBL22055641 | 0.66 | OPRM1 (0.57) | SOS1CYP4F2CYP4A11ALDH1A1CYP2D6 | |
| SCHEMBL10515682 | 0.66 | USP2 (0.57) | CYP2C9ALDH1A1CYP3A4CYP2D6 |
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 4 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 |