Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 7/20 | 0.42 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | FAP | Q12884 | 1/20 | 0.35 |
| ▸ | KDM6B | O15054 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 1/20 | 0.34 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.34 |
| ▸ | HIF1AN | Q9NWT6 | 1/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21081301 | 1.00 | ESR1 (0.48) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL9696446 | 0.91 | ESR1 (0.45) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL10440510 | 0.90 | CACNA1C (0.40) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL21081300 | 0.90 | ESR1 (0.47) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL9696350 | 0.85 | ESR1 (0.47) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL10440442 | 0.85 | ESR1 (0.44) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL10682791 | 0.84 | ESR1 (0.44) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL10683098 | 0.84 | ESR1 (0.43) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL10683095 | 0.84 | ESR1 (0.43) | ESR1PTGS1PDE4ACACNA1CELANE | |
| SCHEMBL10440528 | 0.83 | CACNA1C (0.51) | ESR1PTGS1PDE4ACACNA1CELANE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0372582-A2 | 6-Aminoalkyl carbapenems | Bristol-Myers Squibb Company (US) | 1990-06-13 | — | — | EP | disclosed |