Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP14 | Q460N5 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | KDM6B | O15054 | 2/20 | 0.43 |
| ▸ | KDM4D | Q6B0I6 | 2/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6635013 | 0.89 | PARP14 (0.48) | PARP14LMNAALDH1A1PKMMEN1 | |
| SCHEMBL16628650 | 0.85 | GPBAR1 (0.47) | GPBAR1KDM4DKDM4CTYK2 | |
| SCHEMBL6637207 | 0.81 | TSHR (0.48) | GPBAR1MAPTRAB9ATYK2SMN1; SMN2 | |
| SCHEMBL6635011 | 0.81 | MAPT (0.51) | LMNAGPBAR1NOTUMMAPTRAB9A | |
| SCHEMBL19151103 | 0.81 | MAPT (0.47) | LMNAALDH1A1PKMMEN1KMT2A | |
| SCHEMBL12097325 | 0.77 | NAMPT (0.44) | GPBAR1RAB9A | |
| SCHEMBL19151050 | 0.77 | ALDH1A1 (0.46) | LMNAALDH1A1PKMMEN1KMT2A | |
| SCHEMBL6634845 | 0.76 | CYP1A2 (0.50) | ALDH1A1GPBAR1KDM4CHSD17B10LIMK1 | |
| SCHEMBL17444748 | 0.75 | PARP14 (0.63) | PARP14LMNAALDH1A1MEN1KMT2A | |
| SCHEMBL2003108 | 0.74 | KDM4C (0.45) | GPBAR1KDM4CLIMK1 |
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 |