Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.42 |
| ▸ | NPC1 | O15118 | 9/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5245240 | 0.92 | HPGD (0.45) | RAB9ASMN1; SMN2MAPTTP53NAMPT | |
| SCHEMBL5247887 | 0.88 | MEN1 (0.39) | RAB9ANPC1SMN1; SMN2MLYCDHTT | |
| SCHEMBL5245700 | 0.87 | HDAC4 (0.40) | RAB9ANPC1SMN1; SMN2ALDH1A1MLYCD | |
| SCHEMBL3111992 | 0.87 | SPHK2 (0.45) | RAB9ANPC1SMN1; SMN2ALDH1A1BRD4 | |
| SCHEMBL3113582 | 0.85 | HPGD (0.42) | RAB9ANPC1SMN1; SMN2ALDH1A1MLYCD | |
| SCHEMBL5250048 | 0.85 | EPHX2 (0.46) | RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL5248051 | 0.85 | ABCB1 (0.46) | RAB9ANPC1SMN1; SMN2TP53NAMPT | |
| Trifluoroacetic Acid SCHEMBL5243967 | 0.84 | RAB9A (0.44) | RAB9ANPC1SMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5245482 | 0.83 | SMN1; SMN2 (0.47) | NPC1SMN1; SMN2ALDH1A1MAPTMLYCD | |
| SCHEMBL5246347 | 0.83 | NPC1 (0.44) | RAB9ANPC1SMN1; SMN2TAAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |