Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | RARA | P10276 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 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 | |
|---|---|---|---|---|
| SCHEMBL9735566 | 0.95 | ALDH1A1 (0.48) | ESR1CYP1A2TSHRLMNACYP2C19 | |
| SCHEMBL13171955 | 0.75 | MPI (0.45) | TSHRSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL9750023 | 0.74 | RARA (0.47) | ESR1CYP1A2LMNAMAPK1CYP3A4 | |
| SCHEMBL10882529 | 0.72 | NOX1 (0.46) | CYP1A2TSHRCYP2C19CYP2D6MAPK1 | |
| SCHEMBL37476 | 0.71 | ESR1 (0.85) | ESR1CYP1A2TSHRLMNACYP2C19 | |
| SCHEMBL11085811 | 0.71 | KMT2A (0.47) | ALDH1A1MEN1KMT2ARARARARB | |
| SCHEMBL709064 | 0.70 | ESR1 (0.67) | ESR1CYP1A2TSHRLMNACYP2C19 | |
| SCHEMBL9750240 | 0.70 | MEN1 (0.40) | CYP1A2TSHRLMNACYP2C19CYP2D6 | |
| SCHEMBL3819527 | 0.69 | NQO2 (0.40) | CYP1A2LMNACYP2D6SMN1; SMN2ALDH1A1 | |
| SCHEMBL9737334 | 0.69 | ESR1 (0.38) | ESR1LMNACYP3A4ALDH1A1SLC6A2 |
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 |