Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | TPMT | P51580 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7814134 | 0.88 | AKR1C3 (0.71) | TNFRSF1AAKR1C3KDM4EHTTCA12 | |
| SCHEMBL7814136 | 0.88 | AKR1C3 (0.71) | TNFRSF1AAKR1C3KDM4EHTTCA12 | |
| SCHEMBL12507687 | 0.87 | ABCG2 (0.59) | TNFRSF1AAKR1C3KDM4EHTTMEN1 | |
| SCHEMBL28673604 | 0.87 | PDE4A (0.53) | TNFRSF1AAKR1C3KDM4EHTTCA12 | |
| SCHEMBL27948969 | 0.87 | PDE4A (0.53) | TNFRSF1AAKR1C3KDM4EHTTCA12 | |
| SCHEMBL30159756 | 0.87 | ABCG2 (0.59) | TNFRSF1AAKR1C3KDM4EHTTMEN1 | |
| SCHEMBL28095655 | 0.85 | AKR1C3 (0.52) | AKR1C3KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL28095654 | 0.85 | AKR1C3 (0.52) | AKR1C3KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL4007167 | 0.81 | AKR1C1 (0.63) | AKR1C3KDM4EHTTMEN1KMT2A | |
| SCHEMBL4007174 | 0.81 | AKR1C1 (0.63) | AKR1C3KDM4EHTTMEN1KMT2A |
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-1235793-A2 | VLA-4 INTEGRIN ANTAGONISTS | Novartis AG (CH) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001042192-A2 | VLA-4 INTEGRIN ANTAGONISTS | NOVARTIS AG (CH) | 2001-06-14 | — | — | WO | disclosed |