Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 2/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4461408 | 0.81 | OPRM1 (0.49) | TAAR1OPRM1OPRD1LTA4HALDH1A1 | |
| SCHEMBL3490723 | 0.77 | OPRM1 (0.44) | TAAR1OPRM1OPRD1ALDH1A1OPRK1 | |
| SCHEMBL1258879 | 0.74 | CYP4F2 (0.58) | TAAR1HTTTP53POLBDRD2 | |
| SCHEMBL29059723 | 0.73 | CTSS (0.43) | SLC1A3SLC1A2SLC1A1TAAR1OPRM1 | |
| SCHEMBL599876 | 0.72 | KEAP1 (0.54) | SLC1A3SLC1A2SLC1A1TAAR1OPRM1 | |
| SCHEMBL19824761 | 0.72 | LTA4H (0.49) | TAAR1OPRM1OPRD1LTA4HALDH1A1 | |
| SCHEMBL3353073 | 0.71 | ALDH1A1 (0.53) | SLC1A3SLC1A2SLC1A1TAAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL27428710 | 0.71 | KEAP1 (0.52) | SLC1A3SLC1A2SLC1A1TAAR1OPRM1 | |
| SCHEMBL2102408 | 0.71 | TAAR1 (0.55) | SLC1A3SLC1A2SLC1A1TAAR1OPRM1 | |
| SCHEMBL34470938 | 0.71 | TDP1 (0.51) | SLC1A3SLC1A2SLC1A1TAAR1OPRM1 |
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-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | claimed |