Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.73 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL17048433 | 0.92 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2HTR2CNPC1RAB9A | |
| SCHEMBL2450508 | 0.86 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2HTR2CKMT2ATSHR | |
| SCHEMBL2450367 | 0.86 | HTR2C (0.56) | ALDH1A1SMN1; SMN2HTR2CRAB9ATDP1 | |
| SCHEMBL5049861 | 0.84 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HTR2CNPC1RAB9A | |
| SCHEMBL13745650 | 0.84 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2HTR2CNPC1RAB9A | |
| SCHEMBL5523975 | 0.84 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL4434645 | 0.83 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2HTR2CGAAHTT | |
| SCHEMBL2444405 | 0.83 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2HTR2CGAAHTT | |
| SCHEMBL13745623 | 0.82 | HTR2C (0.53) | ALDH1A1SMN1; SMN2HTR2CRAB9AGAA | |
| SCHEMBL15453396 | 0.82 | ALDH1A1 (0.81) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 |
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-2362775-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2011-09-07 | — | — | EP | disclosed |