Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11159050 | 0.99 | ESR1 (0.42) | ESR1MAPTNPC1RAB9AAKR1C4 | |
| SCHEMBL11266962 | 0.92 | ESR1 (0.39) | ESR1KDM4EADRB2ADRB1ADRB3 | |
| SCHEMBL11158234 | 0.91 | ESR1 (0.41) | ESR1MAPTNPC1RAB9AAKR1C4 | |
| SCHEMBL11156530 | 0.90 | ESR1 (0.42) | ESR1MAPTNPC1RAB9AAKR1C4 | |
| SCHEMBL11174897 | 0.86 | ESR1 (0.39) | ESR1ALDH1A1KDM4EADRB2ADRB1 | |
| SCHEMBL11164947 | 0.86 | ESR1 (0.41) | ESR1MAPTNPC1RAB9AAKR1C4 | |
| SCHEMBL11154050 | 0.84 | ESR1 (0.41) | ESR1MAPTNPC1RAB9AAKR1C4 | |
| SCHEMBL11619336 | 0.83 | CA1 (0.41) | ESR1MAPTNPC1RAB9AKDM4E | |
| SCHEMBL11272104 | 0.83 | ESR1 (0.41) | ESR1MAPTNPC1RAB9AAKR1C4 | |
| SCHEMBL11152946 | 0.82 | ESR1 (0.43) | ESR1MAPTNPC1RAB9AAKR1C4 |
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-0024282-B1 | BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES | Dr. Karl Thomae GmbH (DE) | 1983-05-18 | — | — | EP | disclosed |
| EP-0024282-A1 | Benzoyl derivatives, their preparation and their use as medicines | Dr. Karl Thomae GmbH (DE) | 1981-03-04 | — | — | EP | disclosed |