Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP14 | Q460N5 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KDM6B | O15054 | 2/20 | 0.45 |
| ▸ | KDM4D | Q6B0I6 | 2/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.45 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.45 |
| ▸ | F2R | P25116 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6635289 | 0.89 | PARP14 (0.45) | PARP14MAPK1KDM6BKDM4DKDM4C | |
| SCHEMBL16628650 | 0.83 | GPBAR1 (0.47) | KDM4DKDM4C | |
| SCHEMBL5768636 | 0.79 | MAPK1 (0.49) | MAPK1KDM6BKDM4DKDM4CEGLN3 | |
| SCHEMBL6635011 | 0.78 | MAPT (0.51) | RAB9ASMN1; SMN2TP53NOTUMMAPT | |
| SCHEMBL6637207 | 0.78 | TSHR (0.48) | RAB9ASMN1; SMN2TP53MAPTAAK1 | |
| SCHEMBL12097325 | 0.75 | NAMPT (0.44) | RAB9A | |
| SCHEMBL6658490 | 0.75 | MAPK1 (0.69) | MAPK1ALDH1A1RAB9ASMN1; SMN2POLB | |
| SCHEMBL6634845 | 0.74 | CYP1A2 (0.50) | MAPK1KDM4CALDH1A1LIMK1 | |
| SCHEMBL2003108 | 0.72 | KDM4C (0.45) | KDM4CLIMK1 | |
| SCHEMBL21258161 | 0.72 | ATR (0.45) | RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1035115-B1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2004-09-29 | — | — | EP | claimed |