Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 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 | |
|---|---|---|---|---|
| Benzoyl Chloride SCHEMBL8172944 | 0.86 | ESR1 (0.41) | ESR1ESR2TRPA1MYCMEN1 | |
| Hydrochloric Acid SCHEMBL8181047 | 0.85 | ESR1 (0.40) | ESR1ESR2LMNAAKR1C3TDP1 | |
| SCHEMBL6891142 | 0.81 | ABCB1 (0.52) | ABCB1 | |
| SCHEMBL9099090 | 0.77 | ESR1 (0.53) | ESR1ESR2TRPA1MYCMEN1 | |
| SCHEMBL1810392 | 0.76 | ESR1 (0.59) | ESR1ESR2TRPA1ATMMYC | |
| SCHEMBL28257509 | 0.75 | ESR1 (0.50) | ESR1ESR2TRPA1MYCMEN1 | |
| SCHEMBL10718620 | 0.74 | ABCB1 (0.59) | ABCB1 | |
| Benzoyl Chloride SCHEMBL8174403 | 0.74 | KMT2A (0.41) | KMT2AABCB1 | |
| SCHEMBL10768616 | 0.74 | MEN1 (0.40) | MEN1KMT2ATDP1ABCB1TP53 | |
| SCHEMBL8173976 | 0.74 | MEN1 (0.49) | MEN1KMT2ATDP1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0361645-B1 | ORGANIC HYDRAZINE DERIVATIVES FOR PHARMACEUTICAL USE | ROHM AND HAAS COMPANY (US) | 1993-09-29 | — | — | EP | disclosed |
| EP-0361645-A2 | Organic hydrazine derivatives for pharmaceutical use | ROHM AND HAAS COMPANY (US) | 1990-04-04 | — | — | EP | disclosed |