Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 3/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6775235 | 0.95 | TBXAS1 (0.36) | TBXAS1F10PDK2PDK4MAOB | |
| SCHEMBL6890251 | 0.87 | F10 (0.38) | F10ALDH1A1KDM4ELMNACNR2 | |
| SCHEMBL6765996 | 0.84 | HRH3 (0.41) | F10MAOBAOC3ALDH1A1KDM4E | |
| SCHEMBL6769131 | 0.80 | HRH3 (0.43) | F10MAOBAOC3ALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL6770182 | 0.80 | NPC1 (0.42) | F10ALDH1A1HPGDSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL6775232 | 0.79 | RAD52 (0.42) | F10ALDH1A1MCHR1 | |
| SCHEMBL3911248 | 0.77 | F10 (0.50) | F10 | |
| Trifluoroacetic Acid SCHEMBL6775993 | 0.72 | F10 (0.42) | F10ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL6775981 | 0.71 | KDM4E (0.40) | F10ALDH1A1KDM4EBRAF | |
| SCHEMBL3900379 | 0.70 | F10 (0.53) | F10 |
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-6825181-B1 | ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X | AJINOMOTO CO., INC. (JP) | 2004-11-30 | — | — | US | disclosed |
| EP-1065200-A1 | AMINOISOQUINOLINE DERIVATIVES | Ajinomoto Co., Inc. (JP) | 2001-01-03 | — | — | EP | disclosed |