Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | WDR5 | P61964 | 4/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 3/20 | 0.48 |
| ▸ | HTR1B | P28222 | 3/20 | 0.48 |
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24671205 | 1.00 | NPC1 (0.53) | NPC1RAB9AHTTWDR5OPRM1 | |
| SCHEMBL29803710 | 0.95 | MEN1 (0.50) | NPC1RAB9AHTTHTR2AHDAC3 | |
| Trifluoroacetic Acid SCHEMBL29803995 | 0.88 | BACE1 (0.45) | HTR2AHDAC3KMT2AMEN1CSF1R | |
| SCHEMBL24670125 | 0.86 | OPRM1 (0.53) | NPC1RAB9AHTTOPRM1OPRD1 | |
| SCHEMBL24670708 | 0.84 | MEN1 (0.55) | NPC1RAB9AHTR2AHDAC3HDAC8 | |
| SCHEMBL29803884 | 0.81 | NPC1 (0.60) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL29803071 | 0.80 | MEN1 (0.47) | NPC1RAB9AHTTWDR5OPRM1 | |
| SCHEMBL29803340 | 0.80 | ADRB1 (0.54) | OPRM1OPRD1KMT2AMEN1CSF1R | |
| SCHEMBL24670794 | 0.78 | SMN1; SMN2 (0.51) | HTTKMT2AMEN1 | |
| SCHEMBL29803695 | 0.78 | SMN1; SMN2 (0.51) | HTTKMT2AMEN1 |
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 |