Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL181572 | 0.78 | CES2 (0.78) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL8962468 | 0.77 | CES2 (0.75) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL7787691 | 0.77 | ALDH1A1 (0.74) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL10690800 | 0.76 | TSHR (0.68) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL6985894 | 0.76 | RORC (0.52) | TP53TSHRMAPTMEN1KMT2A | |
| SCHEMBL7572875 | 0.76 | KMT2A (0.54) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL10513884 | 0.75 | CES2 (0.58) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL961431 | 0.75 | ALDH1A1 (0.63) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL4651125 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CES2CES1TP53TSHR | |
| Methyl Alcohol SCHEMBL27717832 | 0.74 | TP53 (0.69) | ALDH1A1CES2CES1TP53TSHR |
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-0906279-A1 | NOVEL PYRROLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997046524-A1 | NOVEL PYRROLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-12-11 | — | — | WO | disclosed |