Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29099339 | 0.84 | PLAU (0.44) | ALDH1A1CYP2A6CNR2RAB9ANPC1 | |
| SCHEMBL24338056 | 0.80 | ACACB (0.41) | ALDH1A1 | |
| SCHEMBL28990411 | 0.79 | CYP2A6 (0.47) | ALDH1A1CYP2A6CNR2CYP2C19RAB9A | |
| SCHEMBL4263924 | 0.78 | CYP2A6 (0.50) | ALDH1A1CYP2A6CNR2CYP2C19RAB9A | |
| SCHEMBL13018765 | 0.78 | PLAU (0.46) | ALDH1A1CYP2A6CNR2CYP2C19RAB9A | |
| SCHEMBL7983660 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP2A6KDM4EHPGD | |
| SCHEMBL4268325 | 0.76 | CYP2A6 (0.47) | ALDH1A1CYP2A6CNR2CYP1A2CYP2C19 | |
| SCHEMBL523707 | 0.76 | KLK5 (0.49) | CYP2A6CNR2CYP2C19RAB9ANPC1 | |
| SCHEMBL31606595 | 0.75 | ADORA2A (0.52) | ALDH1A1CYP2A6ELANERAB9ANPC1 | |
| SCHEMBL19586249 | 0.75 | SMN1; SMN2 (0.51) | ALDH1A1CYP2A6CNR2CYP1A2CYP2C19 |
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-20080261272-A1 | FUNGAL CELL WALL SYNTHESIS GENE | EISAI R&D MANAGEMENT CO., LTD (JP) | 2008-10-23 | — | — | US | disclosed |
| EP-1300464-A1 | FUNGAL CELL WALL SYNTHESIS GENE | Eisai Co., Ltd. (JP) | 2003-04-09 | — | — | EP | disclosed |