Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 5/20 | 0.40 |
| ▸ | GCLC | P48506 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31756901 | 0.89 | CHRM1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL9816520 | 0.85 | CHRM1 (0.67) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28671949 | 0.84 | CA2 (0.57) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL723389 | 0.82 | CA2 (0.58) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL9816622 | 0.82 | CA2 (0.59) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28753794 | 0.81 | CA2 (0.38) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28753816 | 0.81 | CA2 (0.38) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL19754827 | 0.81 | CA2 (0.33) | CA2MAPK1TDP1 | |
| SCHEMBL9816444 | 0.80 | CA2 (0.52) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| Acetic Acid SCHEMBL9401153 | 0.80 | FOLH1 (0.58) | CA2MAPK1FOLH1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0174271-B1 | ANTHRACEME DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-10-16 | — | — | EP | disclosed |
| EP-0106799-B1 | PHENOLS AND THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1986-03-19 | — | — | EP | disclosed |
| EP-0174271-A2 | Anthraceme derivatives | CIBA-GEIGY AG (CH) | 1986-03-12 | — | — | EP | disclosed |
| EP-0106799-A1 | Phenols and their preparation | CIBA-GEIGY AG (CH) | 1984-04-25 | — | — | EP | disclosed |