Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5189282 | 1.00 | PIN1 (0.40) | PIN1ALDH1A1HPGDTSHRSYK | |
| SCHEMBL5189278 | 0.88 | PIN1 (0.39) | PIN1ALDH1A1HPGDTSHRSYK | |
| SCHEMBL205372 | 0.87 | PIN1 (0.46) | PIN1ALDH1A1HPGDTSHRSYK | |
| SCHEMBL2837438 | 0.87 | PIN1 (0.46) | PIN1ALDH1A1HPGDTSHRSYK | |
| SCHEMBL3958269 | 0.86 | PIN1 (0.41) | PIN1ALDH1A1HPGDTSHRSYK | |
| SCHEMBL205371 | 0.85 | PIN1 (0.41) | PIN1ALDH1A1HPGDTSHRSYK | |
| SCHEMBL899337 | 0.84 | KDM4E (0.40) | PIN1ALDH1A1HPGDSYKNPC1 | |
| SCHEMBL899340 | 0.84 | KDM4E (0.40) | PIN1ALDH1A1HPGDSYKNPC1 | |
| SCHEMBL9494059 | 0.80 | MAP4K4 (0.41) | PIN1ALDH1A1HPGDTSHRSYK | |
| SCHEMBL3958493 | 0.79 | PIN1 (0.41) | PIN1ALDH1A1HPGDTSHRSYK |
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-1791427-A1 | (HETERO)CYCLYLCARBOXAMIDES FOR CONTROLLING PATHOGENIC FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006027198-A1 | (HETERO)CYCLYLCARBOXAMIDES FOR CONTROLLING PATHOGENIC FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 2006-03-16 | — | — | WO | disclosed |