Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3761968 | 0.88 | TP53 (0.49) | RAB9ATP53SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3761869 | 0.84 | GAA (0.50) | NPC1RAB9AMAPTHRH3KDM4E | |
| SCHEMBL13684982 | 0.79 | SRC (0.47) | NPC1RAB9ATP53SMN1; SMN2CHRM1 | |
| N-Benzylmethylamine SCHEMBL5556336 | 0.77 | NCF1 (0.50) | MAPTCYP2D6HRH3KDM4E | |
| SCHEMBL6250405 | 0.75 | MCHR1 (0.73) | SMN1; SMN2MCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL3763647 | 0.74 | HDAC3 (0.50) | — | |
| SCHEMBL6250979 | 0.73 | MCHR1 (0.70) | NPC1RAB9ASMN1; SMN2MCHR1CYP2D6 | |
| SCHEMBL5189076 | 0.73 | HTR1A (0.45) | SMN1; SMN2HRH3KDM4EALDH1A1HTT | |
| SCHEMBL23886464 | 0.71 | SIGMAR1 (0.59) | SIGMAR1ALDH1A1GAA | |
| SCHEMBL3762346 | 0.71 | HRH3 (0.50) | HRH3KDM4EALDH1A1GAAHPGD |
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-7842812-B2 | Substituted 5-aminomethy1-1H-pyrrole-2-carboxylic acid amides | GRUENENTHAL GMBH (DE) | 2010-11-30 | — | — | US | claimed |