Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29211079 | 0.76 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1KCNN4 | |
| SCHEMBL8073675 | 0.74 | APP (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1KCNN4 | |
| SCHEMBL9806927 | 0.71 | ALDH1A1 (0.45) | CYP1A2CYP2C9CYP2C19ALDH1A1KCNN4 | |
| SCHEMBL639889 | 0.70 | ATM (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL10344433 | 0.70 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL29211084 | 0.70 | TSHR (0.43) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL1758086 | 0.69 | ALDH1A1 (0.53) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL29211094 | 0.69 | ALDH1A1 (0.50) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL1444134 | 0.66 | ATM (0.45) | ALDH1A1TSHRKCNN4CYP3A4MAPK1 | |
| SCHEMBL6017366 | 0.65 | ALDH1A1 (0.46) | CYP1A2CYP2C9CYP2C19ALDH1A1KCNN4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4082813-A | 3-Ioda-α-ethynyl benzhydrol | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1978-04-04 | — | — | US | disclosed |
| US-4075249-A | 3,4,5-Trimethoxy-α-ethynyl-benzhydrol as a fungicidally effective compound | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1978-02-21 | — | — | US | disclosed |
| US-4066709-A | α-Ethyny benzhydrols | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1978-01-03 | — | — | US | disclosed |
| US-3965179-A | BLOCKING, VIRICIDE, FUNGICIDE | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1976-06-22 | — | — | US | disclosed |