Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | CASP3 | P42574 | 2/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29954658 | 0.90 | NPC1 (0.60) | NPC1RAB9ACASP3OPRK1MAOB | |
| SCHEMBL29952662 | 0.87 | CASP3 (0.54) | NPC1RAB9ACASP3MAOBMGLL | |
| SCHEMBL29951619 | 0.86 | TACR3 (0.56) | NPC1RAB9AMAOBMGLLPOLB | |
| SCHEMBL29956641 | 0.86 | CASP3 (0.53) | NPC1RAB9ACASP3OPRK1MAOB | |
| SCHEMBL29950689 | 0.85 | NPC1 (0.64) | NPC1RAB9ACASP3MAOBMGLL | |
| SCHEMBL20328778 | 0.83 | CYP1A2 (0.69) | NPC1MAOBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27491709 | 0.83 | MAOB (0.58) | NPC1RAB9ACASP3MAOBMGLL | |
| SCHEMBL8066868 | 0.82 | NPC1 (0.54) | NPC1RAB9ACASP3OPRK1MGLL | |
| SCHEMBL9984311 | 0.82 | NPC1 (0.64) | NPC1RAB9ACASP3MAOBMGLL | |
| SCHEMBL29951775 | 0.82 | NPC1 (0.64) | NPC1RAB9ACASP3MAOBMGLL |
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 |