Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 5/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.32 |
| ▸ | CDK9 | P50750 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | MTTP | P55157 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.31 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24670707 | 0.93 | TRPV1 (0.36) | NAMPTTRPV1CCNT1CDK9GRM5 | |
| SCHEMBL24670703 | 0.93 | TRPV1 (0.36) | NAMPTTRPV1CCNT1CDK9GRM5 | |
| SCHEMBL24671259 | 0.92 | NAMPT (0.38) | NAMPTTRPV1ABCB1MTTPNPC1 | |
| SCHEMBL24671554 | 0.92 | NAMPT (0.34) | NAMPTTRPV1CCNT1CDK9ABCB1 | |
| SCHEMBL24670803 | 0.90 | NAMPT (0.38) | NAMPTABCB1KDM4EMAPTCYP3A4 | |
| SCHEMBL24670242 | 0.90 | NPC1 (0.35) | NAMPTTRPV1CCNT1CDK9ABCB1 | |
| SCHEMBL24671510 | 0.89 | NAMPT (0.41) | NAMPTABCB1 | |
| SCHEMBL24670832 | 0.88 | MAPT (0.37) | NAMPTTRPV1ABCB1NPC1MAPT | |
| SCHEMBL24670926 | 0.84 | WDR5 (0.36) | NAMPTTRPV1CCNT1CDK9NPC1 | |
| SCHEMBL24671551 | 0.84 | WDR5 (0.36) | NAMPTTRPV1CCNT1CDK9NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |