Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | GPR132 | Q9UNW8 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.49 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | GSK3A | P49840 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.49 |
| ▸ | PRKX | P51817 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7372269 | 1.00 | TDP1 (0.55) | TDP1GPR132MAOAMAOBPTGS2 | |
| SCHEMBL5162484 | 0.90 | ACE (0.56) | GPR132CA1PTPN1CA2ACE | |
| SCHEMBL5162493 | 0.90 | ACE (0.56) | GPR132CA1PTPN1CA2ACE | |
| SCHEMBL7412076 | 0.87 | ALDH1A1 (0.54) | TDP1GPR132MAOAMAOBPTGS2 | |
| SCHEMBL23304049 | 0.85 | PTPN1 (0.66) | GPR132CA1ALDH1A1ROCK2RPS6KA5 | |
| SCHEMBL23304046 | 0.85 | PTPN1 (0.66) | GPR132CA1ALDH1A1ROCK2RPS6KA5 | |
| SCHEMBL7384594 | 0.84 | MAOA (0.49) | TDP1GPR132MAOAMAOBPTGS2 | |
| SCHEMBL30915496 | 0.83 | ALDH1A1 (0.55) | TDP1CA1RAB9AALDH1A1PTPN1 | |
| SCHEMBL30915501 | 0.83 | NPC1 (0.54) | PTGS2CA1RAB9APTPN1GAA | |
| SCHEMBL30915498 | 0.80 | PLAU (0.60) | PTGS2RAB9AALDH1A1PTPN1GAA |
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-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | disclosed |