Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.63 |
| ▸ | RAB9A | P51151 | 6/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.52 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.52 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL26096785 | 0.88 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL23675423 | 0.88 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL23675401 | 0.86 | NPC1 (0.60) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL3477479 | 0.84 | RAB9A (0.58) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL6228759 | 0.82 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL22720173 | 0.81 | RAB9A (0.57) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL4748888 | 0.80 | ALDH1A1 (0.62) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL29077678 | 0.78 | HPGD (0.71) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL14614940 | 0.78 | ALDH1A1 (1.00) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL15534644 | 0.76 | NPC1 (0.58) | NPC1RAB9AALDH1A1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1651640-B1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LTD (GB) | 2007-02-14 | — | — | EP | disclosed |