Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 10/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774397 | 0.88 | NPC1 (0.47) | ALDH1A1LMNAPOLBACACBKDM4E | |
| SCHEMBL8774497 | 0.88 | ACACB (0.43) | ALDH1A1LMNAPOLBACACBKDM4E | |
| SCHEMBL8774773 | 0.85 | ALDH1A1 (0.50) | ALDH1A1LMNAPOLBACACBKDM4E | |
| SCHEMBL8774556 | 0.83 | EGLN1 (0.47) | ALDH1A1LMNAPOLBACACB | |
| SCHEMBL1008935 | 0.82 | KDM4E (0.41) | ALDH1A1LMNAPOLBACACBNQO1 | |
| SCHEMBL8774695 | 0.80 | FFAR1 (0.43) | ALDH1A1ACACBMCHR1 | |
| SCHEMBL9152764 | 0.79 | ACACB (0.50) | ACACBNQO1 | |
| SCHEMBL8774593 | 0.78 | FFAR1 (0.41) | ALDH1A1LMNAACACBKMT2AKDM4E | |
| SCHEMBL8774722 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNAPOLBNQO1KMT2A | |
| SCHEMBL31160399 | 0.77 | NQO1 (0.74) | ACACBNQO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |