Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27495958 | 0.89 | ESR1 (0.62) | ESR1ESR2TSHRALDH1A1KMT2A | |
| SCHEMBL27401830 | 0.83 | ESR1 (0.43) | ESR1ESR2TSHRALDH1A1MEN1 | |
| SCHEMBL28770357 | 0.83 | EPHX1 (0.46) | CYP2C9CYP2C19TSHRALDH1A1HPGD | |
| SCHEMBL27878871 | 0.83 | POLB (0.50) | CYP2C19TSHRALDH1A1POLBNPC1 | |
| SCHEMBL30174080 | 0.81 | HPGD (0.41) | CYP2C9CYP2C19TSHRCYP3A4CYP2D6 | |
| SCHEMBL667372 | 0.81 | HPGD (0.41) | CYP2C9CYP2C19TSHRCYP3A4CYP2D6 | |
| SCHEMBL28607302 | 0.80 | EPHX1 (0.60) | CYP2C19TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL1234209 | 0.78 | ESR1 (0.68) | ESR1ESR2CYP2C9CYP2C19ATM | |
| SCHEMBL29636408 | 0.78 | HPGD (0.39) | CYP2C9CYP2C19TSHRCYP3A4CYP2D6 | |
| SCHEMBL8309560 | 0.77 | TSHR (0.44) | CYP2C9CYP2C19TSHRCYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109551-A4 | 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES | COMPETITIVE TECH INC (US) | 2004-10-20 | — | — | EP | disclosed |
| EP-1109551-A1 | 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES | Competitive Technologies, Inc. (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000010564-A1 | 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES | COMPETITIVE TECHNOLOGIES, INC. (US) | 2000-03-02 | — | — | WO | disclosed |