Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 6/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9736272 | 0.95 | ESR1 (0.47) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL13171955 | 0.73 | MPI (0.45) | ALDH1A1MAPTTSHRSMN1; SMN2 | |
| SCHEMBL9736230 | 0.73 | ESR1 (0.38) | ALDH1A1ESR1LMNA | |
| SCHEMBL2617118 | 0.72 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL10332378 | 0.72 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL108412 | 0.72 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL10591672 | 0.72 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL108532 | 0.72 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL197446 | 0.72 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL21048393 | 0.72 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9AESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5130442-A | Compounds for forming color in recording material based on acid developers | BAYER AKTIENGESELLSCHAFT (DE) | 1992-07-14 | — | — | US | disclosed |
| EP-0431425-A2 | Chromogen enamine compounds, their preparation and use as colour formers | BAYER AG (DE) | 1991-06-12 | — | — | EP | disclosed |