Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8958964 | 1.00 | HTT (0.50) | HTTALDH1A1AKR1C3PTGS2AKR1C2 | |
| SCHEMBL7942171 | 1.00 | HTT (0.50) | HTTALDH1A1AKR1C3PTGS2AKR1C2 | |
| SCHEMBL9336389 | 0.84 | SMN1; SMN2 (0.44) | HTTALDH1A1MEN1KMT2ACES2 | |
| SCHEMBL9336394 | 0.84 | SMN1; SMN2 (0.44) | HTTALDH1A1MEN1KMT2ACES2 | |
| SCHEMBL9812652 | 0.83 | CA1 (0.48) | HTTALDH1A1PTGS2MEN1KMT2A | |
| SCHEMBL8635962 | 0.83 | TDP1 (0.48) | HTTALDH1A1AKR1C3MEN1KMT2A | |
| SCHEMBL8958591 | 0.83 | TDP1 (0.48) | HTTALDH1A1AKR1C3MEN1KMT2A | |
| SCHEMBL1996920 | 0.82 | AKR1C1 (0.53) | HTTALDH1A1AKR1C3PTGS2AKR1C2 | |
| SCHEMBL2407093 | 0.82 | AKR1C1 (0.53) | HTTALDH1A1AKR1C3PTGS2AKR1C2 | |
| SCHEMBL1996915 | 0.82 | AKR1C1 (0.53) | HTTALDH1A1AKR1C3PTGS2AKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5519048-A | 3-(indol-3-yl)-propenoic acid derivatives and pharmaceutical compositions thereof | MERRELL PHARMACEUTICALS INC. (US) | 1996-05-21 | — | — | US | disclosed |