Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL26077843 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL11107765 | 0.96 | ALDH1A1 (0.48) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL30678320 | 0.96 | ALDH1A1 (0.48) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL30678317 | 0.96 | ALDH1A1 (0.48) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL30474075 | 0.91 | UGT2B7 (0.47) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL18386322 | 0.83 | KMT2A (0.43) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL12608372 | 0.82 | DRD1 (0.49) | — | |
| SCHEMBL12608371 | 0.82 | ADCY6 (0.50) | UGT2B7 | |
| SCHEMBL24469694 | 0.79 | CA12 (0.41) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL4078467 | 0.79 | ALDH1A1 (0.44) | ALDH1A1KMT2AHTTHSP90AA1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001079209-A2 | DIAZAFLUORENONE IL-8 ANTAGONISTS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2001-10-25 | — | — | WO | disclosed |