Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 3/20 | 0.32 |
| ▸ | ALPI | P09923 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18328100 | 0.70 | GPR84 (0.45) | ALDH1A1CYP3A4HSD17B10LMNAALPL | |
| SCHEMBL21603903 | 0.69 | HDAC3 (0.36) | ALDH1A1LMNARAB9ANPC1KMT2A | |
| SCHEMBL21603894 | 0.69 | KDM4E (0.35) | ALDH1A1LMNARAB9ANPC1KMT2A | |
| SCHEMBL2493925 | 0.69 | KMT2A (0.35) | ALDH1A1CYP3A4HSD17B10LMNAALPL | |
| SCHEMBL20642409 | 0.68 | ALDH1A1 (0.39) | ALDH1A1CYP3A4HSD17B10LMNARAB9A | |
| SCHEMBL24305797 | 0.68 | KMT2A (0.48) | ALDH1A1ALPLALPIKMT2APTGS1 | |
| SCHEMBL24486068 | 0.67 | KCNN4 (0.34) | ALDH1A1CYP3A4HSD17B10LMNAALPL | |
| SCHEMBL20099115 | 0.67 | KCNN4 (0.34) | ALDH1A1CYP3A4HSD17B10LMNAALPL | |
| SCHEMBL16705384 | 0.66 | RAB9A (0.42) | ALDH1A1CYP3A4HSD17B10LMNARAB9A | |
| SCHEMBL24238854 | 0.66 | CNR1 (0.34) | ALDH1A1CYP3A4HSD17B10LMNAALPL |
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-2260032-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. du Pont de Nemours and Company (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |