Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | UBE2N | P61088 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14104853 | 0.91 | OPRM1 (0.33) | ALDH1A1HPGDGAAKDM4ECYP3A4 | |
| SCHEMBL7531062 | 0.90 | ATM (0.38) | ALDH1A1HPGDGAAKDM4ECYP3A4 | |
| SCHEMBL7523477 | 0.89 | PKM (0.41) | ALDH1A1HPGDGAAKDM4ECYP3A4 | |
| SCHEMBL12190801 | 0.86 | ALDH1A1 (0.39) | ALDH1A1HPGDGAAKDM4ECYP3A4 | |
| SCHEMBL7526284 | 0.85 | CYP2D6 (0.41) | ALDH1A1HPGDGAAKDM4ECYP3A4 | |
| SCHEMBL14923276 | 0.85 | SMN1; SMN2 (0.33) | ALDH1A1GAALMNAKMT2ASMN1; SMN2 | |
| SCHEMBL7523686 | 0.84 | TSHR (0.41) | ALDH1A1HPGDGAAKDM4ECYP3A4 | |
| SCHEMBL7524254 | 0.84 | EPHX2 (0.38) | ALDH1A1HPGDGAAKDM4ECYP3A4 | |
| SCHEMBL7526516 | 0.84 | HDAC3 (0.40) | — | |
| SCHEMBL7530766 | 0.84 | EPHX2 (0.43) | ALDH1A1NPSR1 |
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-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |