Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.62 |
| ▸ | PLK1 | P53350 | 1/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.51 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.48 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 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 | |
|---|---|---|---|---|
| SCHEMBL5258295 | 1.00 | HTR3A (0.62) | HTR3APLK1CHRNA7BCAT1ALOX15 | |
| SCHEMBL6832879 | 0.84 | HPGDS (0.57) | CHRNA7BCAT1ACKR3 | |
| SCHEMBL5258735 | 0.84 | HPGDS (0.57) | CHRNA7BCAT1ACKR3 | |
| SCHEMBL5256788 | 0.81 | HTR3A (0.50) | HTR3APLK1CHRNA7BCAT1ALOX15 | |
| SCHEMBL6834343 | 0.81 | HTR3A (0.50) | HTR3APLK1CHRNA7BCAT1ALOX15 | |
| SCHEMBL6829459 | 0.77 | SMYD3 (0.54) | TAS1R3TAS1R1TAS1R2MAPK14 | |
| SCHEMBL5258271 | 0.77 | SMYD3 (0.54) | TAS1R3TAS1R1TAS1R2MAPK14 | |
| SCHEMBL14193427 | 0.77 | RAB9A (0.51) | HTR3AALOX15HTTRAB9ANPC1 | |
| SCHEMBL1459284 | 0.77 | HTR3A (1.00) | HTR3APLK1CHRNA7ALOX15 | |
| SCHEMBL1459693 | 0.77 | HTR3A (1.00) | HTR3APLK1CHRNA7ALOX15 |
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-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |