Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA4 | P22748 | 5/20 | 0.41 |
| ▸ | CA6 | P23280 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8021615 | 0.98 | NPC1 (0.48) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL8026467 | 0.98 | NPC1 (0.48) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL8020977 | 0.98 | NPC1 (0.48) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL4347324 | 0.93 | NPC1 (0.47) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL17956725 | 0.91 | NPC1 (0.45) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL10538285 | 0.89 | NPC1 (0.44) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL28392226 | 0.89 | NPC1 (0.41) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL8920483 | 0.86 | NPC1 (0.44) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL10824823 | 0.81 | NPC1 (0.43) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL11104892 | 0.81 | NPC1 (0.43) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 |
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-0926122-A1 | Process for the preparation of cyclic ketones | HAARMANN & REIMER GMBH (DE) | 1999-06-30 | — | — | EP | disclosed |