Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | DEPTOR | Q8TB45 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL7647045 | 0.81 | CES1 (0.38) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL6796747 | 0.80 | HPGD (0.40) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL4289334 | 0.79 | TSHR (0.38) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL482524 | 0.79 | KMT2A (0.45) | ALDH1A1HPGDSMN1; SMN2RAB9AHSD11B1 | |
| SCHEMBL6797312 | 0.77 | NR3C2 (0.44) | ALDH1A1TDP1L3MBTL1HPGDSMN1; SMN2 | |
| SCHEMBL7649861 | 0.75 | ALDH1A1 (0.33) | CES1ALDH1A1CES2TSHRL3MBTL1 | |
| SCHEMBL11690273 | 0.75 | HSD11B1 (0.39) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL6793422 | 0.73 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1L3MBTL1HPGD | |
| SCHEMBL6795525 | 0.73 | TDP1 (0.61) | TDP1L3MBTL1SMN1; SMN2RAB9APOLB | |
| SCHEMBL27403016 | 0.73 | RAB9A (0.40) | CES1ALDH1A1CES2TSHRDAO |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009078587-A2 | COMPOSITION FOR PREVENTION AND TREATMENT OF CANCER CONTAINING TRIAZOLYL-THIO-ETHANONE DERIVATIVES INHIBITING ACTIVITY OF PROTEIN PHOSPHATASES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS AN ACTIVE INGREDIENT | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2009-06-25 | — | — | WO | disclosed |