Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | ERN1 | O75460 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PRKDC | P78527 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 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 | |
|---|---|---|---|---|
| SCHEMBL4600339 | 0.87 | ERN1 (0.70) | SMN1; SMN2ERN1ALDH1A1TSHRKDM4E | |
| SCHEMBL10477813 | 0.86 | ALDH1A1 (0.58) | SMN1; SMN2ERN1ALDH1A1TSHRKDM4E | |
| SCHEMBL31433349 | 0.84 | ALDH1A1 (0.48) | SMN1; SMN2ERN1ALDH1A1TSHRKDM4E | |
| SCHEMBL11380066 | 0.84 | ALDH1A1 (0.48) | SMN1; SMN2ERN1ALDH1A1TSHRKDM4E | |
| SCHEMBL7917725 | 0.84 | ALDH1A1 (0.48) | SMN1; SMN2ERN1ALDH1A1TSHRKDM4E | |
| SCHEMBL7914200 | 0.84 | PTGS2 (0.50) | ALDH1A1TSHRKDM4ETDP1POLB | |
| SCHEMBL7804821 | 0.83 | ALDH1A1 (0.47) | SMN1; SMN2ERN1ALDH1A1TSHRKDM4E | |
| SCHEMBL5789989 | 0.81 | MAPT (0.58) | SMN1; SMN2ERN1ALDH1A1TSHRKDM4E | |
| SCHEMBL7914197 | 0.81 | L3MBTL1 (0.47) | SMN1; SMN2ERN1ALDH1A1TSHRKDM4E | |
| SCHEMBL7810581 | 0.81 | ALDH1A1 (0.46) | SMN1; SMN2ERN1ALDH1A1TSHRKDM4E |
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 9 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 |
| EP-0655996-B1 | SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES | PFIZER (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-1114823-A2 | Substituted benzylamino nitrogen containing non-aromatic heterocycles | PFIZER INC. (US) | 2001-07-11 | — | — | EP | disclosed |
| US-5837711-A | Substituted quinuclidines as substance P antagonists | PFIZER INC. (US) | 1998-11-17 | — | — | US | disclosed |
| US-5721255-A | Substituted benzylamino nitrogen containing non-aromatic heterocycles | PFIZER INC. (US) | 1998-02-24 | — | — | US | disclosed |
| EP-0665843-A1 | SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1995-08-09 | — | — | 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 |