Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11433238 | 0.81 | GSK3B (0.53) | NPC1RAB9ACES2CES1HDAC3 | |
| SCHEMBL7653421 | 0.80 | NPC1 (0.55) | NPC1RAB9APTPN1HTR7PLOD2 | |
| SCHEMBL10507643 | 0.80 | MAPT (0.52) | NPC1RAB9APTPN1PLOD2CES2 | |
| SCHEMBL11164619 | 0.78 | HDAC3 (0.60) | NPC1RAB9ACES2CES1HDAC3 | |
| SCHEMBL2561194 | 0.78 | NPC1 (0.57) | NPC1RAB9APTPN1HTR7PLOD2 | |
| SCHEMBL15516651 | 0.76 | NSD2 (0.49) | NPC1RAB9APTPN1HTR7CA1 | |
| SCHEMBL15516652 | 0.76 | NSD2 (0.49) | NPC1RAB9APTPN1HTR7CA1 | |
| SCHEMBL15509295 | 0.76 | NSD2 (0.49) | NPC1RAB9APTPN1HTR7CA1 | |
| SCHEMBL8519584 | 0.76 | NPC1 (0.55) | NPC1RAB9APTPN1HTR7PLOD2 | |
| SCHEMBL120769 | 0.74 | PLOD2 (0.60) | NPC1RAB9APTPN1HTR7PLOD2 |
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-4992462-A | Inhibitor of HMG-CoA reductase | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-12 | — | — | US | disclosed |
| EP-0287890-A1 | Substituted pyrroles | BAYER AG (DE) | 1988-10-26 | — | — | EP | disclosed |