Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.42 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8775001 | 0.97 | PKM (0.42) | MEN1KMT2AUSP2ALDH1A1LMNA | |
| SCHEMBL8774330 | 0.96 | CYP3A4 (0.43) | MEN1KMT2AUSP2ALDH1A1LMNA | |
| SCHEMBL8774925 | 0.94 | CYP2D6 (0.46) | MEN1KMT2AUSP2ALDH1A1LMNA | |
| SCHEMBL8774833 | 0.92 | LMNA (0.44) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8774847 | 0.88 | ACACB (0.43) | MEN1KMT2AALDH1A1LMNACYP3A4 | |
| SCHEMBL8774796 | 0.86 | NQO1 (0.41) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8774823 | 0.86 | HTR2A (0.46) | ALDH1A1LMNACYP3A4 | |
| SCHEMBL8774041 | 0.85 | HTR2A (0.49) | ALDH1A1LMNACYP3A4 | |
| SCHEMBL8774498 | 0.84 | HTR2A (0.40) | ALDH1A1LMNACYP3A4SMN1; SMN2 | |
| SCHEMBL9161261 | 0.83 | MEN1 (0.43) | MEN1KMT2AUSP2ALDH1A1LMNA |
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 |