Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 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 | |
|---|---|---|---|---|
| SCHEMBL3022644 | 0.85 | ALOX5 (0.42) | TAAR1NPC1TP53TSHRNFKB1 | |
| SCHEMBL7222040 | 0.83 | TAAR1 (0.44) | TAAR1ALOX5MAOBPGRESR2 | |
| SCHEMBL1451004 | 0.82 | ALDH1A1 (0.43) | TAAR1ALOX5CYP1A2ESR2 | |
| SCHEMBL8938017 | 0.81 | ALOX5 (0.41) | TAAR1NPC1RAB9ASMN1; SMN2ALOX5 | |
| SCHEMBL15067523 | 0.80 | ALDH1A1 (0.45) | TAAR1ALOX5CYP1A2ESR2 | |
| SCHEMBL1535844 | 0.80 | ALDH1A1 (0.38) | NPC1RAB9AALOX5ESR2 | |
| SCHEMBL7470031 | 0.80 | ADORA2A (0.43) | PGRCYP1A2ESR2ADORA2AADORA1 | |
| SCHEMBL29788033 | 0.80 | TAAR1 (0.61) | TAAR1NPC1TP53TSHRNFKB1 | |
| SCHEMBL170231 | 0.80 | TAAR1 (0.61) | TAAR1NPC1TP53TSHRNFKB1 | |
| SCHEMBL27998968 | 0.80 | ALOX5 (0.43) | TAAR1NPC1TP53TSHRNFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | disclosed |