Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28278618 | 0.83 | CES2 (0.44) | ALDH1A1MAPK1TSHRCES2CES1 | |
| SCHEMBL28277130 | 0.79 | CES2 (0.41) | ALDH1A1MAPK1TSHRCES2CES1 | |
| SCHEMBL28278434 | 0.79 | CES2 (0.41) | TDP1CES2CES1POLBCYP3A4 | |
| SCHEMBL28278438 | 0.77 | PARP1 (0.50) | ALDH1A1CES2CES1POLBPARP1 | |
| SCHEMBL28278604 | 0.77 | POLB (0.51) | ALDH1A1POLBPARP1MAPTCYP2C19 | |
| SCHEMBL6711122 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL11813803 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL15122603 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL7855650 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1TSHRCES2 | |
| SCHEMBL894842 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1TSHRCES2 |
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 |