Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.52 |
| ▸ | PI4KA | P42356 | 4/20 | 0.52 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.52 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.52 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | SCN4A | P35499 | 1/20 | 0.47 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9762807 | 0.84 | RAB9A (0.71) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL8656868 | 0.82 | RAB9A (0.69) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL8500947 | 0.81 | RAB9A (0.68) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL5946675 | 0.81 | RAB9A (0.68) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL2445933 | 0.81 | RAB9A (0.68) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL113955 | 0.80 | RAB9A (0.76) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL9722768 | 0.77 | RAB9A (0.66) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL7331641 | 0.77 | RAB9A (0.66) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL28778790 | 0.77 | RAB9A (0.57) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL73636 | 0.77 | RAB9A (0.57) | RAB9ANPC1SMN1; SMN2MAPTCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113164454-A | Inhibitors of VAP-1 | 奥克塞拉有限公司 | 2021-07-23 | — | — | CN | disclosed |