Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | NAT1 | P18440 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10768288 | 0.92 | ALOX5 (0.43) | MEN1KMT2AADORA2AADORA1GAA | |
| SCHEMBL28716480 | 0.82 | CYP1A2 (0.50) | NPC1RAB9ATSHRSMN1; SMN2MEN1 | |
| SCHEMBL185890 | 0.81 | ALDH1A1 (0.41) | ALOX5 | |
| SCHEMBL11121106 | 0.81 | MAPT (0.45) | NPC1RAB9ATSHRSMN1; SMN2MEN1 | |
| SCHEMBL5384403 | 0.80 | ALOX5 (0.44) | NPC1RAB9ATP53TSHRNFKB1 | |
| SCHEMBL9593355 | 0.80 | NPSR1 (0.45) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL4621655 | 0.77 | ALDH1A1 (0.39) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL20956991 | 0.77 | ESR2 (0.42) | NPC1RAB9ASMN1; SMN2ALOX5TDO2 | |
| SCHEMBL21647114 | 0.77 | ALOX5 (0.46) | TSHRADORA2AADORA1ALOX5TDO2 | |
| SCHEMBL5050877 | 0.77 | CYP2A6 (0.52) | NPC1RAB9ATP53TSHRNFKB1 |
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 |