Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.76 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenylethyl Alcohol SCHEMBL8849309 | 1.00 | TDP1 (0.76) | TDP1TSHRALOX12LMNAACHE | |
| Phenylethyl Alcohol SCHEMBL5675914 | 1.00 | TDP1 (0.76) | TDP1TSHRALOX12LMNAACHE | |
| Phenylethyl Alcohol SCHEMBL9828009 | 1.00 | TDP1 (0.76) | TDP1TSHRALOX12LMNAACHE | |
| Phenylethyl Alcohol SCHEMBL5674828 | 1.00 | TDP1 (0.76) | TDP1TSHRALOX12LMNAACHE | |
| Phenylethyl Alcohol SCHEMBL9050775 | 1.00 | TDP1 (0.76) | TDP1TSHRALOX12LMNAACHE | |
| Phenylethyl Alcohol SCHEMBL9827117 | 1.00 | TDP1 (0.76) | TDP1TSHRALOX12LMNAACHE | |
| Phenylethyl Alcohol SCHEMBL28099020 | 0.98 | TDP1 (0.73) | TDP1TSHRALOX12LMNAACHE | |
| Toluene SCHEMBL3692883 | 0.93 | TDP1 (0.65) | TDP1TSHRALOX12LMNAACHE | |
| Toluene SCHEMBL9412512 | 0.93 | TDP1 (0.65) | TDP1TSHRALOX12LMNAACHE | |
| Toluene SCHEMBL2589614 | 0.93 | TDP1 (0.65) | TDP1TSHRALOX12LMNAACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1124824-B1 | CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2007-08-22 | — | — | EP | disclosed |
| EP-1124824-A1 | CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GmbH (DE) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026212-A1 | CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2000-05-11 | — | — | WO | disclosed |
| EP-0423632-B1 | Substrates for hydrolases | BOEHRINGER MANNHEIM GMBH (DE) | 1995-08-16 | — | — | EP | disclosed |
| EP-0423632-A1 | Substrates for hydrolases | Roche Diagnostics GmbH (DE) | 1991-04-24 | — | — | EP | disclosed |