Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6028666 | 1.00 | CES2 (0.46) | CES2CES1PARP1PKMKMT2A | |
| SCHEMBL11649906 | 0.87 | KMT2A (0.48) | KMT2AMEN1GRIN2BMAPTHTT | |
| SCHEMBL4624494 | 0.80 | KMT2A (0.54) | CES2CES1KMT2AMEN1GRIN2B | |
| SCHEMBL4624489 | 0.80 | KMT2A (0.54) | CES2CES1KMT2AMEN1GRIN2B | |
| SCHEMBL11385863 | 0.79 | SLC22A2 (0.47) | PKMKMT2AMEN1KCNK3NPC1 | |
| SCHEMBL16038637 | 0.79 | ESR1 (0.44) | CES2CES1PKMKMT2AMEN1 | |
| SCHEMBL11385861 | 0.79 | SLC22A2 (0.47) | PKMKMT2AMEN1KCNK3NPC1 | |
| SCHEMBL16038636 | 0.79 | ESR1 (0.44) | CES2CES1PKMKMT2AMEN1 | |
| SCHEMBL18100423 | 0.78 | KMT2A (0.46) | KMT2AMEN1GRIN2BNPC1MAPT | |
| SCHEMBL8250615 | 0.77 | CES2 (0.52) | CES2CES1PARP1PKMKMT2A |
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-1677786-A1 | 5-SUBSTITUTED 2-(PHENYLMETHYL)THIO-4-PHENYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS GABA-AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE AND RELATED DISEASES | Bayer HealthCare AG (DE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005039569-A1 | 5-SUBSTITUTED 2-(PHENYLMETHYL) THIO-4-PHENYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS GABA-AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE AND RELATED DISEASES | BAYER HEALTHCARE AG (DE) | 2005-05-06 | — | — | WO | disclosed |