Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 11/20 | 0.42 |
| ▸ | RAF1 | P04049 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8130753 | 0.99 | HTR2A (0.42) | HTR2ABRAFRAF1TAAR1ROCK2 | |
| SCHEMBL7945155 | 0.89 | BRAF (0.51) | BRAFRAF1ROCK2CYP3A4KIT | |
| SCHEMBL7955614 | 0.88 | BRAF (0.44) | HTR2ABRAFRAF1ROCK2SMN1; SMN2 | |
| SCHEMBL6295104 | 0.88 | ROCK2 (0.53) | HTR2ATAAR1ROCK2CYP3A4KDM4E | |
| SCHEMBL7951743 | 0.87 | MAPT (0.52) | HTR2AROCK2CYP3A4SMN1; SMN2KDM4E | |
| SCHEMBL7945228 | 0.87 | ABL1 (0.48) | BRAFKIT | |
| SCHEMBL7953997 | 0.85 | ALDH1A1 (0.43) | ROCK2CYP3A4KDM4EMAPT | |
| SCHEMBL7953516 | 0.84 | SMN1; SMN2 (0.44) | BRAFTAAR1ROCK2WNT3AKIT | |
| SCHEMBL7951869 | 0.82 | EGFR (0.44) | BRAFTAAR1ROCK2WNT3ASMN1; SMN2 | |
| SCHEMBL7951760 | 0.79 | MAPT (0.61) | ROCK2CYP3A4SMN1; SMN2KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6245778-B1 | 1,6-naphthyridine anti-convulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-06-12 | — | — | US | claimed |
| US-6245778-B1 | 1,6-naphthyridine anti-convulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-06-12 | — | — | US | disclosed |
| EP-0986559-A1 | 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998054184-A1 | 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1998-12-03 | — | — | WO | disclosed |