Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4962394 | 0.87 | CYP2D6 (0.38) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4957454 | 0.85 | SMN1; SMN2 (0.41) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4958219 | 0.82 | MAPT (0.41) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4958793 | 0.82 | HDAC6 (0.40) | — | |
| SCHEMBL25345950 | 0.80 | POLB (0.41) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4960190 | 0.80 | POLB (0.41) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1820622 | 0.71 | CYP1A2 (0.44) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4306620 | 0.71 | AVPR2 (0.41) | ALDH1A1AVPR2AVPR1AMAPTTHRB | |
| SCHEMBL4958103 | 0.71 | MAPT (0.40) | CYP1A2SMN1; SMN2ALDH1A1MAPTTHRB | |
| SCHEMBL4965526 | 0.71 | P2RX7 (0.44) | ALDH1A1AVPR2AVPR1AMAPTTHRB |
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-1879873-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK Holdings Co., Ltd. (KR) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006112685-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK HOLDINGS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |