Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.69 |
| ▸ | RAB9A | P51151 | 5/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.64 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.64 |
| ▸ | PLAU | P00749 | 1/20 | 0.63 |
| ▸ | ELANE | P08246 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 1/20 | 0.60 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.59 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.59 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29241731 | 0.84 | HDAC3 (0.65) | NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL28761131 | 0.84 | ALDH1A1 (0.66) | NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL5971699 | 0.84 | NR4A1 (0.68) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL10797162 | 0.82 | MAOB (0.67) | NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL1056460 | 0.81 | MRGPRX4 (0.74) | NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL13380778 | 0.81 | HPGD (0.65) | NPC1RAB9ASMN1; SMN2LMNAHDAC3 | |
| SCHEMBL21978380 | 0.80 | ALDH1A1 (0.63) | NPC1RAB9AALDH1A1SMN1; SMN2HDAC3 | |
| SCHEMBL978502 | 0.79 | RAB9A (0.71) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL863916 | 0.79 | ALDH1A1 (0.88) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL13199109 | 0.79 | PLAU (0.61) | NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |