Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9852195 | 0.88 | ESR1 (0.34) | CTRB1ESR1PTGS1PDE4ACACNA1C | |
| SCHEMBL9852028 | 0.88 | ESR1 (0.34) | CTRB1ESR1PTGS1PDE4ACACNA1C | |
| SCHEMBL9852099 | 0.88 | CACNA1C (0.34) | CTRB1ESR1PTGS1PDE4ACACNA1C | |
| SCHEMBL9852200 | 0.87 | CACNA1C (0.34) | CTRB1ESR1PTGS1PDE4ACACNA1C | |
| SCHEMBL9852168 | 0.86 | ESR1 (0.35) | CTRB1ESR1PTGS1PDE4ACACNA1C | |
| SCHEMBL8865516 | 0.86 | ESR1 (0.35) | CTRB1ESR1PTGS1PDE4ACACNA1C | |
| SCHEMBL9852132 | 0.86 | CACNA1C (0.35) | CTRB1ESR1PTGS1PDE4ACACNA1C | |
| SCHEMBL9852153 | 0.84 | ESR1 (0.34) | CTRB1ESR1PTGS1PDE4ACACNA1C | |
| SCHEMBL9852152 | 0.82 | ELANE (0.35) | CTRB1ESR1PTGS1PDE4ACACNA1C | |
| SCHEMBL9852217 | 0.82 | CACNA1C (0.32) | ESR1PTGS1PDE4ACACNA1CKDM4E |
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-0433759-A1 | 4-Substituted alkyl carbapenem antibiotics | Bristol-Myers Squibb Company (US) | 1991-06-26 | — | — | EP | disclosed |