Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27382463 | 0.87 | RIPK1 (0.47) | RIPK1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL18548754 | 0.84 | SMN1; SMN2 (0.56) | RIPK1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8743244 | 0.84 | RIPK1 (0.49) | RIPK1CHRM2CHRM1CHRM3CHRNB2 | |
| SCHEMBL8743250 | 0.84 | RIPK1 (0.49) | RIPK1CHRM2CHRM1CHRM3CHRNB2 | |
| SCHEMBL29722559 | 0.82 | LMNA (0.42) | CHRM2CHRM1CHRM3CHRNB2CHRNB4 | |
| SCHEMBL27701689 | 0.82 | TDP1 (0.55) | LMNANPC1RAB9ASMN1; SMN2BCAT2 | |
| SCHEMBL29722536 | 0.80 | CHRM1 (0.40) | CHRM2CHRM1CHRM3CHRNB2CHRNB4 | |
| SCHEMBL1047065 | 0.80 | THRB (0.55) | RIPK1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19553362 | 0.80 | NPC1 (0.52) | RIPK1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL13801021 | 0.78 | HPGD (0.44) | RIPK1CHRM2CHRM1CHRM3CHRNB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |