Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8890350 | 0.89 | ALDH1A1 (0.58) | ALDH1A1HPGDMAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL8891413 | 0.87 | ALDH1A1 (0.55) | ALDH1A1HPGDMAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL8889271 | 0.82 | NPC1 (0.51) | ALDH1A1 | |
| SCHEMBL8890381 | 0.80 | NPC1 (0.49) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL8891152 | 0.78 | PDE4D (0.62) | MAPTSMN1; SMN2 | |
| SCHEMBL8888574 | 0.76 | ALDH1A1 (0.59) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL184987 | 0.74 | SMPD1 (0.71) | HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL341137 | 0.74 | NPC1 (0.73) | HPGDMAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL8890208 | 0.72 | PDE4A (0.59) | — | |
| SCHEMBL28217561 | 0.72 | CA12 (0.57) | ALDH1A1HTT |
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-1997003967-A1 | SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE | RHONE-POULENC RORER LIMITED (GB) | 1997-02-06 | — | — | WO | disclosed |