Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11571691 | 0.80 | CA12 (0.39) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL11562636 | 0.77 | NPC1 (0.42) | NPC1RAB9AMAPTSMN1; SMN2KDM4C | |
| SCHEMBL133932 | 0.77 | NPC1 (0.44) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL19171338 | 0.75 | NPC1 (0.57) | NPC1RAB9AMAPTSMN1; SMN2KDM4C | |
| SCHEMBL11408388 | 0.75 | KDM4C (0.35) | NPC1RAB9ASMN1; SMN2KDM4CALDH1A1 | |
| SCHEMBL20017302 | 0.73 | NPC1 (0.55) | NPC1RAB9AMAPTSMN1; SMN2KDM4C | |
| SCHEMBL4029339 | 0.73 | — | — | |
| SCHEMBL969173 | 0.73 | NPC1 (0.46) | NPC1RAB9AMAPTSMN1; SMN2KDM4C | |
| SCHEMBL15341360 | 0.73 | NPC1 (0.46) | NPC1RAB9AMAPTSMN1; SMN2KDM4C | |
| SCHEMBL23925486 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3423053-A1 | USE OF 2-OXO-2H-PYRROL-1(5H)-CARBOXAMIDE DERIVATIVES AS ANTI-HIV AGENTS AND PROCESS FOR THE PRODUCTION THEREOF | Università degli Studi di Parma (IT) | 2019-01-09 | — | — | EP | disclosed |