Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7093467 | 0.78 | ACHE (0.48) | NPC1RAB9AHPGDTSHRALDH1A1 | |
| SCHEMBL1670216 | 0.77 | MEN1 (0.47) | NPC1RAB9ATSHRALDH1A1GAA | |
| SCHEMBL7053663 | 0.77 | NPC1 (0.39) | NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL7090123 | 0.77 | KDM4E (0.42) | NPC1RAB9AATMHPGDTSHR | |
| SCHEMBL8540882 | 0.73 | AR (0.43) | ALDH1A1MAPT | |
| SCHEMBL23802052 | 0.72 | ALDH1A1 (0.39) | NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL10761583 | 0.72 | HTR2C (0.49) | — | |
| SCHEMBL6711039 | 0.71 | HTR2C (0.56) | NPC1RAB9A | |
| SCHEMBL8541413 | 0.71 | POLB (0.46) | RAB9AHPGDTSHRALDH1A1LMNA | |
| SCHEMBL3686228 | 0.71 | KMT2A (0.45) | NPC1TSHRALDH1A1MAPTGAA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0665843-B1 | SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER (US) | 2003-08-13 | — | — | EP | disclosed |
| US-5837711-A | Substituted quinuclidines as substance P antagonists | PFIZER INC. (US) | 1998-11-17 | — | — | US | disclosed |
| EP-0665843-A1 | SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1995-08-09 | — | — | EP | disclosed |
| EP-0655996-A1 | SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES | PFIZER INC. (US) | 1995-06-07 | — | — | EP | disclosed |
| WO-1994004496-A9 | SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES | — | 1995-01-26 | — | — | WO | disclosed |
| WO-1994010170-A1 | SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1994-05-11 | — | — | WO | disclosed |
| WO-1994004496-A1 | SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES | PFIZER INC. (US) | 1994-03-03 | — | — | WO | disclosed |