Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.50 |
| ▸ | PRKDC | P78527 | 1/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.41 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5103444 | 0.87 | ALDH1A1 (0.53) | ALDH1A1TSHRKDM4ETDP1CYP1A1 | |
| SCHEMBL5107347 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TSHRKDM4ETDP1CYP1A1 | |
| SCHEMBL7818843 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4ETDP1CYP1A1 | |
| SCHEMBL7819802 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TSHRKDM4ETDP1CYP1A1 | |
| SCHEMBL9825309 | 0.79 | GCK (0.39) | ALDH1A1KDM4ETDP1CYP1A1CYP1B1 | |
| SCHEMBL3511079 | 0.76 | CYP1A1 (0.50) | ALDH1A1TSHRTDP1CYP1A1CYP1B1 | |
| SCHEMBL5723652 | 0.75 | CYP1A1 (0.51) | ALDH1A1TSHRKDM4ETDP1CYP1A1 | |
| SCHEMBL7810762 | 0.75 | MAOA (0.46) | ALDH1A1TSHRKDM4ETDP1PRKDC | |
| SCHEMBL7669934 | 0.75 | PDE4B (0.37) | ALDH1A1HPGD | |
| SCHEMBL8154576 | 0.75 | GCK (0.60) | ALDH1A1KDM4ETDP1LMNAHPGD |
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 10 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 |
| 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 |