Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 12/20 | 0.56 |
| ▸ | RAB9A | P51151 | 8/20 | 0.56 |
| ▸ | NPC1 | O15118 | 6/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.56 |
| ▸ | TP53 | P04637 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1032957 | 0.90 | MAPT (0.58) | MAPTRAB9ANPC1TSHRTP53 | |
| SCHEMBL1031278 | 0.88 | LMNA (0.66) | MAPTRAB9ANPC1TSHRTP53 | |
| SCHEMBL1035519 | 0.88 | MAPT (0.69) | MAPTRAB9ANPC1TSHRTP53 | |
| SCHEMBL1035429 | 0.85 | MAPT (0.65) | MAPTRAB9ANPC1TSHRTP53 | |
| SCHEMBL27362950 | 0.84 | MAPT (0.66) | MAPTRAB9ANPC1TSHRTP53 | |
| SCHEMBL27362958 | 0.82 | MAPT (0.56) | MAPTRAB9ANPC1TSHRTP53 | |
| SCHEMBL1033727 | 0.80 | TRPM8 (0.58) | MAPTRAB9ANPC1TSHRTP53 | |
| SCHEMBL10339173 | 0.79 | ALDH1A1 (0.45) | MAPTRAB9ANPC1TSHRTP53 | |
| SCHEMBL74730 | 0.78 | MAPT (0.80) | MAPTRAB9ANPC1TP53HPGD | |
| SCHEMBL974926 | 0.77 | MAPT (0.57) | MAPTRAB9ANPC1TSHRTP53 |
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 |