Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.86 |
| ▸ | TAS2R38 | P59533 | 3/20 | 0.86 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.86 |
| ▸ | TP53 | P04637 | 1/20 | 0.86 |
| ▸ | TYR | P14679 | 1/20 | 0.86 |
| ▸ | TSHR | P16473 | 1/20 | 0.86 |
| ▸ | GAA | P10253 | 5/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Phenylthiourea SCHEMBL42753 | 0.93 | ALDH1A1 (1.00) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Phenylthiourea SCHEMBL11820844 | 0.93 | ALDH1A1 (1.00) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Phenylthiourea SCHEMBL28211446 | 0.91 | ALDH1A1 (0.95) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Phenylthiourea SCHEMBL29672776 | 0.91 | ALDH1A1 (0.95) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Phenylthiourea SCHEMBL22494152 | 0.91 | ALDH1A1 (0.95) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Phenylthiourea SCHEMBL28966870 | 0.91 | ALDH1A1 (0.95) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Phenylthiourea SCHEMBL6644561 | 0.91 | ALDH1A1 (0.95) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Phenylthiourea SCHEMBL27472859 | 0.91 | ALDH1A1 (0.95) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Phenylthiourea SCHEMBL6833851 | 0.87 | ALDH1A1 (0.79) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Dimethylamine SCHEMBL11568529 | 0.84 | TAS2R38 (0.61) | ALDH1A1TAS2R38HSD17B10TP53TYR |
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-1152759-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000047194-A9 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | DIMENSIONAL PHARM INC (US) | 2001-05-31 | — | — | WO | disclosed |
| WO-2000047194-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |