Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.51 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RHOA | P61586 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564017 | 0.88 | CYP3A4 (0.51) | CYP3A4CYP4F2CYP4A11LOXL2ALDH1A1 | |
| SCHEMBL6660186 | 0.88 | CYP3A4 (0.51) | CYP3A4CYP4F2CYP4A11LOXL2ALDH1A1 | |
| SCHEMBL16372021 | 0.87 | CYP3A4 (0.61) | CYP3A4ALDH1A1TSHRHSD17B10SNCA | |
| SCHEMBL157805 | 0.87 | CYP3A4 (0.61) | CYP3A4ALDH1A1TSHRHSD17B10SNCA | |
| SCHEMBL30564418 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP4F2CYP4A11LOXL2ALDH1A1 | |
| SCHEMBL1800154 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP4F2CYP4A11LOXL2ALDH1A1 | |
| SCHEMBL3264445 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP4F2CYP4A11LOXL2ALDH1A1 | |
| SCHEMBL4980546 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP4F2CYP4A11LOXL2ALDH1A1 | |
| SCHEMBL20762833 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP4F2CYP4A11ALDH1A1TSHR | |
| Benzene SCHEMBL29140663 | 0.85 | CYP3A4 (0.59) | CYP3A4ALDH1A1TSHRHSD17B10SNCA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023235753-A2 | ALDH2 INHIBITORS AND METHODS OF USE THEREOF | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2023-12-07 | — | — | WO | disclosed |