Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7973989 | 0.76 | NPC1 (0.31) | TBXAS1ALDH1A1NPC1RAB9AITGB3 | |
| SCHEMBL7973903 | 0.71 | ALDH1A1 (0.36) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL29977305 | 0.67 | ALDH1A1 (0.61) | ALDH1A1DAONPC1RAB9APNMT | |
| Trifluoroacetic Acid SCHEMBL7976860 | 0.65 | MTNR1A (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL6993165 | 0.63 | C1S (0.31) | ALDH1A1MEN1CYP1A2CYP3A4GAA | |
| SCHEMBL1397374 | 0.61 | ALDH1A1 (0.56) | TBXAS1ALDH1A1DAONPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL31078582 | 0.61 | PNMT (0.81) | ALDH1A1DAOITGB3ITGA2BPNMT | |
| Trifluoroacetic Acid SCHEMBL28866357 | 0.59 | — | — | |
| Trifluoroacetic Acid SCHEMBL5223817 | 0.57 | DAO (0.50) | ALDH1A1DAONPC1RAB9AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5223272 | 0.57 | PLAU (0.72) | DAO |
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 |
|---|---|---|---|---|---|---|---|
| US-6274619-B1 | FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-08-14 | — | — | US | disclosed |
| US-6093710-A | AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-07-25 | — | — | US | disclosed |