Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL8768511 | 0.87 | APEX1 (0.62) | APEX1KMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL8422374 | 0.80 | APEX1 (0.71) | APEX1ALDH1A1MAPTLMNACASP6 | |
| SCHEMBL8418979 | 0.77 | HPGD (0.56) | APEX1KMT2AALDH1A1MEN1VCAM1 | |
| SCHEMBL1996412 | 0.75 | APEX1 (0.70) | APEX1KMT2AALDH1A1MEN1MAPT | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 | 0.74 | VCAM1 (0.77) | KMT2AALDH1A1MEN1KDM4EVCAM1 | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 | 0.74 | VCAM1 (0.77) | KMT2AALDH1A1MEN1KDM4EVCAM1 | |
| SCHEMBL8215970 | 0.74 | APEX1 (0.65) | APEX1ALDH1A1MAPTLMNACASP6 | |
| SCHEMBL2001981 | 0.73 | APEX1 (0.72) | APEX1ALDH1A1MAPTLMNACASP6 | |
| SCHEMBL27770136 | 0.73 | VCAM1 (0.70) | KMT2AALDH1A1MEN1KDM4EVCAM1 | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL8028245 | 0.73 | VCAM1 (0.74) | KMT2AALDH1A1MEN1KDM4EVCAM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0791576-A2 | Leukotriene antagonistic benzoic acid derivatives | BAYER AG (DE) | 1997-08-27 | — | — | EP | disclosed |