Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29515031 | 0.91 | KMT2A (0.52) | ESR1ESR2KMT2ACYP3A4CYP2C9 | |
| SCHEMBL310386 | 0.91 | KMT2A (0.52) | ESR1ESR2KMT2ACYP3A4CYP2C9 | |
| SCHEMBL28036413 | 0.90 | MAPK13 (0.46) | KMT2ACYP3A4CYP2C9ALDH1A1HPGD | |
| Benzene SCHEMBL27738764 | 0.89 | KMT2A (0.55) | ESR1ESR2KMT2ACYP3A4CYP2C9 | |
| SCHEMBL8732527 | 0.89 | TDP2 (0.36) | ESR1ESR2KMT2ACYP3A4CYP2C9 | |
| SCHEMBL10355093 | 0.86 | ALDH1A1 (0.57) | ESR1ESR2KMT2ACYP3A4CYP2C9 | |
| SCHEMBL109890 | 0.85 | CYP3A4 (0.52) | ESR1ESR2KMT2ACYP3A4CYP2C9 | |
| SCHEMBL11051229 | 0.85 | MAPK13 (0.42) | ESR1ESR2KMT2ACYP3A4CYP2C9 | |
| SCHEMBL4583582 | 0.82 | CYP3A4 (0.39) | KMT2ACYP3A4CYP2C9HSD17B10ALDH1A1 | |
| SCHEMBL28410141 | 0.81 | AKR1C3 (0.55) | KMT2ACYP3A4CYP2C9HSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5354784-A | Photoinitiators for cationically polymerizable compounds | ARAKAWA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1994-10-11 | — | — | US | disclosed |
| US-4071540-A | MALEIC OR PHTHALIC | CHEVRON RESEARCH COMPANY (US) | 1978-01-31 | — | — | US | disclosed |