Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | RAF1 | P04049 | 1/20 | 0.58 |
| ▸ | CDK1 | P06493 | 1/20 | 0.58 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.58 |
| ▸ | TUBB4A | P04350 | 11/20 | 0.55 |
| ▸ | TUBB | P07437 | 11/20 | 0.55 |
| ▸ | TUBA3C | P0DPH7 | 11/20 | 0.55 |
| ▸ | TUBA1B | P68363 | 11/20 | 0.55 |
| ▸ | TUBA4A | P68366 | 11/20 | 0.55 |
| ▸ | TUBB4B | P68371 | 11/20 | 0.55 |
| ▸ | TUBB3 | Q13509 | 11/20 | 0.55 |
| ▸ | TUBB2A | Q13885 | 11/20 | 0.55 |
| ▸ | TUBB8 | Q3ZCM7 | 11/20 | 0.55 |
| ▸ | TUBA3E | Q6PEY2 | 11/20 | 0.55 |
| ▸ | TUBA1A | Q71U36 | 11/20 | 0.55 |
| ▸ | TUBA1C | Q9BQE3 | 11/20 | 0.55 |
| ▸ | TUBB6 | Q9BUF5 | 11/20 | 0.55 |
| ▸ | TUBB2B | Q9BVA1 | 11/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12516482 | 0.92 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL10072775 | 0.91 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL12515675 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL807291 | 0.88 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL807286 | 0.87 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL10073251 | 0.87 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL80281 | 0.87 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL10072779 | 0.85 | CYP2C9 (0.55) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL10072776 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19RAF1CDK1 | |
| SCHEMBL10072777 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19RAF1CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012035436-A1 | PLINABULIN PRODRUG ANALOGS AND THERAPEUTIC USES THEREOF | TOKYO UNIVERSITY OF PHARMACY AND LIFE SCIENCES (JP) | 2012-03-22 | — | — | WO | disclosed |
| WO-2011084962-A1 | ANALOGS OF DEHYDROPHENYLAHISTINS | NEREUS PHARMACEUTICALS, INC. (US) | 2011-07-14 | — | — | WO | disclosed |