Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 5/20 | 0.41 |
| ▸ | CNR2 | P34972 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3174715 | 0.87 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL4191215 | 0.85 | HPGD (0.44) | RAB9AHPGDKMT2A | |
| SCHEMBL5840688 | 0.85 | HPGD (0.44) | RAB9AHPGDKMT2A | |
| SCHEMBL8353152 | 0.85 | HPGD (0.44) | RAB9AHPGDKMT2A | |
| SCHEMBL27609550 | 0.83 | CRHR1 (0.45) | HPGD | |
| SCHEMBL5768960 | 0.81 | TP53 (0.51) | KMT2ALMNA | |
| SCHEMBL27628702 | 0.78 | SSTR4 (0.46) | OPRK1HPGDLMNA | |
| SCHEMBL6064158 | 0.78 | CHRM1 (0.43) | — | |
| SCHEMBL6064154 | 0.78 | CHRM1 (0.43) | — | |
| SCHEMBL5841315 | 0.77 | SMYD3 (0.52) | NPC1RAB9ASMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-1652782-A | Nicotinamide derivatives useful as PDE4 inhibitors | PFIZER (US) | 2005-08-10 | — | — | CN | disclosed |