Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4494269 | 0.75 | ALDH1A1 (0.47) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL3019888 | 0.75 | CYP2A6 (0.44) | ALDH1A1CYP2A6KDM4ETSHRCA1 | |
| SCHEMBL4518823 | 0.74 | PIM1 (0.45) | ALDH1A1KDM4EMAPTCYP2D6MAOB | |
| SCHEMBL14329775 | 0.74 | RELA (0.67) | ALDH1A1KDM4ECYP3A4LMNATP53 | |
| SCHEMBL6301892 | 0.72 | HPGD (0.44) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL9292663 | 0.72 | MAOB (0.55) | ALDH1A1KDM4ECYP3A4LMNATP53 | |
| SCHEMBL9292660 | 0.72 | MAOB (0.55) | ALDH1A1KDM4ECYP3A4LMNATP53 | |
| SCHEMBL9292664 | 0.72 | MAOB (0.55) | ALDH1A1KDM4ECYP3A4LMNATP53 | |
| SCHEMBL23020629 | 0.72 | MAOB (0.58) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA | |
| SCHEMBL2449268 | 0.72 | KDM4E (0.70) | ALDH1A1CYP2A6KDM4ECYP3A4LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6037340-A | HAVE BIOLOGICAL ACTIVITY INCLUDING ANTI-CANCER ACTIVITY | CADUS PHARMACEUTICAL CORPORATION (US) | 2000-03-14 | — | — | US | disclosed |
| WO-1998054116-A1 | SYNTHESIS AND USE OF THIOPHENE- AND PYRROLE-BASED HETEROAROMATIC COMPOUNDS | CADUS PHARMACEUTICAL CORPORATION (US) | 1998-12-03 | — | — | WO | disclosed |
| WO-1995023784-A1 | CARBAMOYL CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE AS FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1995-09-08 | — | — | WO | disclosed |