Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL829699 | 0.86 | MAPT (0.44) | KDM4EALDH1A1USP2MAPTCYP19A1 | |
| SCHEMBL5259483 | 0.85 | MAPT (0.43) | KDM4EALDH1A1USP2MAPTCYP19A1 | |
| SCHEMBL27664506 | 0.84 | SMN1; SMN2 (0.38) | KDM4EALDH1A1USP2MAPTCYP19A1 | |
| SCHEMBL7093467 | 0.81 | ACHE (0.48) | ALDH1A1USP2MAPTGAALMNA | |
| SCHEMBL1670216 | 0.79 | MEN1 (0.47) | KDM4EALDH1A1GAATSHRHTT | |
| SCHEMBL7053663 | 0.79 | NPC1 (0.39) | ALDH1A1MAPK1NPC1RAB9ACYP2C19 | |
| SCHEMBL7819793 | 0.79 | GRIN2B (0.31) | GAATSHR | |
| SCHEMBL7093466 | 0.77 | NPC1 (0.42) | ALDH1A1MAPTGAALMNATSHR | |
| SCHEMBL7938441 | 0.77 | KDM4E (0.46) | KDM4EALDH1A1USP2MAPTCYP19A1 | |
| SCHEMBL8540882 | 0.76 | AR (0.43) | ALDH1A1USP2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-100534987-C | New method for preparing 2-methoxy-5(5-trifluoromethyl-1H-tetraazo-1-group) benzaldehyde | CHENGDU MOLECULAR LAB CO LTD (CN) | 2009-09-02 | — | — | CN | disclosed |
| CN-1882345-A | 2, 6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines as RAF kinase inhibitors for the treatment of cancer | CHIRON CORP (US) | 2006-12-20 | — | — | CN | disclosed |
| CN-1850810-A | New method for preparing 2-methoxy-5(5-trifluoromethyl-1H-tetraazo-1-group) benzaldehyde | CHENGDU MOLECULAR LAB CO LTD (CN) | 2006-10-25 | — | — | CN | disclosed |
| 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 |
| WO-1994010170-A1 | SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1994-05-11 | — | — | WO | disclosed |