Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL49780 | 0.82 | — | — | |
| SCHEMBL1696969 | 0.78 | MAPT (0.39) | ALDH1A1HSD17B10TDP1MAPK1MAPT | |
| SCHEMBL22171083 | 0.77 | ALDH1A1 (0.65) | TAAR1ALDH1A1CYP3A4HSD17B10TDP1 | |
| SCHEMBL1353413 | 0.77 | ALDH1A1 (0.56) | TAAR1ALDH1A1CYP3A4HSD17B10TDP1 | |
| Biphenyl SCHEMBL27334887 | 0.76 | ALDH1A1 (0.64) | TAAR1ALDH1A1CYP3A4HSD17B10TDP1 | |
| SCHEMBL18674172 | 0.74 | ALDH1A1 (0.90) | TAAR1ALDH1A1CYP3A4HSD17B10TDP1 | |
| SCHEMBL143471 | 0.74 | ALDH1A1 (0.90) | TAAR1ALDH1A1CYP3A4HSD17B10TDP1 | |
| SCHEMBL1991754 | 0.74 | ALDH1A1 (0.90) | TAAR1ALDH1A1CYP3A4HSD17B10TDP1 | |
| SCHEMBL2637802 | 0.74 | ALDH1A1 (0.90) | TAAR1ALDH1A1CYP3A4HSD17B10TDP1 | |
| Biphenyl SCHEMBL895675 | 0.74 | ALDH1A1 (0.90) | TAAR1ALDH1A1CYP3A4HSD17B10TDP1 |
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-1150982-B1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha | CV THERAPEUTICS INC (US) | 2005-10-12 | — | — | EP | disclosed |
| US-6790958-B2 | ANTIPROLIFERATIVE AGENTS; FUNGICIDES | LUM ROBERT T (US) | 2004-09-14 | — | — | US | disclosed |