Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL557935 | 0.70 | LTA4H (0.43) | LTB4RALDH1A1CALM1MEN1LMNA | |
| SCHEMBL330644 | 0.69 | CALM1 (0.39) | LTB4RMAOAALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL6546976 | 0.67 | CALM1 (0.57) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL3185311 | 0.66 | CALM1 (0.39) | ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1 | |
| SCHEMBL13197099 | 0.66 | FBP1 (0.50) | ALDH1A1RAB9ASMN1; SMN2FBP1HPGD | |
| Isobutylbenzene SCHEMBL7493657 | 0.65 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| Isobutylbenzene SCHEMBL2571645 | 0.65 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| Isobutylbenzene SCHEMBL57393 | 0.65 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL21306242 | 0.65 | CALM1 (0.61) | LTB4RALDH1A1CALM1CYP2D6HPGD | |
| SCHEMBL26417097 | 0.65 | MEN1 (0.45) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA |
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-0821675-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033176-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-24 | — | — | WO | disclosed |