Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL13673916 | 0.93 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C9ALDH1A1KMT2A | |
| SCHEMBL13673882 | 0.84 | RIPK1 (0.38) | ALDH1A1KMT2AKDM4EPKMMEN1 | |
| SCHEMBL8198204 | 0.81 | CX3CR1 (0.33) | CYP2D6 | |
| SCHEMBL7453537 | 0.81 | PRMT1 (0.37) | ALDH1A1KMT2ALMNAMEN1NPC1 | |
| SCHEMBL8024734 | 0.81 | PRMT1 (0.37) | ALDH1A1KMT2ALMNAMEN1NPC1 | |
| SCHEMBL7453235 | 0.80 | PRMT1 (0.40) | ALDH1A1HSD17B10LMNA | |
| SCHEMBL7453483 | 0.79 | ALDH1A1 (0.38) | CYP2C9ALDH1A1HSD17B10LMNAHPGD | |
| SCHEMBL2582265 | 0.78 | CYP2D6 (0.51) | CYP2D6CYP3A4CYP2C9ALDH1A1KMT2A | |
| SCHEMBL2582026 | 0.77 | ESR1 (0.36) | CYP2D6CYP3A4ALDH1A1LMNACYP2C19 | |
| SCHEMBL8900553 | 0.77 | CYP3A4 (0.44) | CYP2D6CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE43802-E1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2012-11-13 | — | — | US | disclosed |
| US-5968970-A | TREATMENT OF HIV | G. D. SEARLE & COMPANY (US) | 1999-10-19 | — | — | US | disclosed |