Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
| ▸ | RAB9A | P51151 | 2/20 | 0.71 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | CASP3 | P42574 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.59 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.59 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.59 |
| ▸ | CETP | P11597 | 8/20 | 0.55 |
| ▸ | TP53 | P04637 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | THRB | P10828 | 3/20 | 0.54 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15745638 | 0.90 | NPC1 (0.66) | NPC1RAB9AHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL3145559 | 0.89 | NPC1 (0.59) | NPC1RAB9AHPGDKDM4EPOLB | |
| SCHEMBL3145556 | 0.89 | NPC1 (0.59) | NPC1RAB9AHPGDKDM4EPOLB | |
| SCHEMBL29881906 | 0.89 | NPC1 (0.59) | NPC1RAB9AHPGDKDM4EPOLB | |
| SCHEMBL11446660 | 0.88 | NPC1 (0.64) | NPC1RAB9AHPGDKDM4EPOLB | |
| SCHEMBL13865476 | 0.84 | NPC1 (0.56) | NPC1RAB9AHPGDKDM4EPOLB | |
| SCHEMBL11697076 | 0.83 | RAB9A (0.71) | NPC1RAB9AHPGDPOLBCETP | |
| SCHEMBL6110446 | 0.82 | NPC1 (0.57) | NPC1RAB9AHPGDKDM4EPOLB | |
| SCHEMBL13426569 | 0.82 | CETP (0.52) | NPC1RAB9AHPGDKDM4EPOLB | |
| SCHEMBL11293348 | 0.82 | NPC1 (0.51) | NPC1RAB9AHPGDPOLBSMN1; SMN2 |
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-0479161-A1 | Synthesis of heterocyclic compounds | EASTMAN CHEMICAL COMPANY (US) | 1992-04-08 | — | — | EP | disclosed |