Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.53 |
| ▸ | ITGAV | P06756 | 2/20 | 0.53 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.53 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | SCN1A | P35498 | 1/20 | 0.51 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.51 |
| ▸ | DDX3X | O00571 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL3497579 | 1.00 | RAB9A (0.56) | RAB9ANPC1HPGDALDH1A1POLB | |
| SCHEMBL3347123 | 1.00 | RAB9A (0.56) | RAB9ANPC1HPGDALDH1A1POLB | |
| SCHEMBL6351292 | 0.80 | NPC1 (0.62) | RAB9ANPC1HPGDALDH1A1POLB | |
| SCHEMBL3499028 | 0.79 | KMT2A (0.57) | RAB9ANPC1ALDH1A1LMNAGAA | |
| SCHEMBL7106954 | 0.79 | ALDH1A1 (0.58) | RAB9ANPC1HPGDALDH1A1POLB | |
| SCHEMBL19283574 | 0.79 | ALDH1A1 (0.58) | RAB9ANPC1HPGDALDH1A1POLB | |
| SCHEMBL15412316 | 0.79 | ALDH1A1 (0.58) | RAB9ANPC1HPGDALDH1A1POLB | |
| Cadaverine Tartrate SCHEMBL29071383 | 0.79 | TSHR (0.50) | RAB9ANPC1HPGDALDH1A1POLB | |
| Cadaverine Tartrate SCHEMBL28055271 | 0.79 | TSHR (0.50) | RAB9ANPC1HPGDALDH1A1POLB | |
| SCHEMBL19283507 | 0.79 | MAPT (0.57) | RAB9ANPC1ALDH1A1POLBLMNA |
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-2010064212-A1 | METHOD FOR OBTAINING AN OPTICALLY PURE 1,2,3,4 TETRAHYDRO-ISOQUINOLINE DERIVATIVE | ACTELION PHARMACEUTICALS LTD (CH) | 2010-06-10 | — | — | WO | disclosed |