Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | TACR3 | P29371 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953911 | 0.90 | KMT2A (0.60) | NPC1RAB9AKMT2ACA1CA2 | |
| SCHEMBL29951720 | 0.85 | NPC1 (0.67) | NPC1RAB9AL3MBTL1MAOBMGLL | |
| SCHEMBL29953335 | 0.84 | NPC1 (0.53) | NPC1RAB9ACA1CA2CA12 | |
| SCHEMBL29956922 | 0.82 | NPC1 (0.52) | NPC1RAB9AKMT2AMEN1MAOB | |
| SCHEMBL9524227 | 0.82 | NPC1 (0.56) | NPC1RAB9AKMT2ACA1CA2 | |
| SCHEMBL23452687 | 0.82 | RAB9A (0.52) | NPC1RAB9AMAOBMGLLPOLB | |
| SCHEMBL5783658 | 0.82 | HTT (0.59) | NPC1RAB9AKMT2ACA1CA2 | |
| SCHEMBL29952583 | 0.82 | RAB9A (0.52) | NPC1RAB9AMAOBMGLLPOLB | |
| SCHEMBL15330140 | 0.81 | NPC1 (0.53) | NPC1RAB9ACA1CA2CA12 | |
| SCHEMBL29953440 | 0.80 | RAB9A (0.52) | NPC1RAB9AMAOBMGLLALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |