Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL934587 | 0.81 | HTT (0.49) | HTTALDH1A1TAAR1EPHX2NPC1 | |
| SCHEMBL8941188 | 0.80 | SIGMAR1 (0.42) | — | |
| SCHEMBL4564333 | 0.79 | HTT (0.50) | HTTALDH1A1TAAR1EPHX2NPC1 | |
| SCHEMBL16191445 | 0.79 | HTT (0.54) | HTTALDH1A1TAAR1EPHX2NPC1 | |
| SCHEMBL5880952 | 0.76 | HTT (0.48) | HTTALDH1A1TAAR1EPHX2NPC1 | |
| SCHEMBL9390743 | 0.76 | ALDH1A1 (0.44) | HTTALDH1A1TAAR1EPHX2SLC18A2 | |
| SCHEMBL29048457 | 0.76 | ALDH1A1 (0.45) | HTTALDH1A1TAAR1EPHX2NPC1 | |
| SCHEMBL9563908 | 0.75 | HTT (0.44) | HTTALDH1A1TAAR1EPHX2NPC1 | |
| SCHEMBL3597434 | 0.75 | HTT (0.47) | HTTALDH1A1TAAR1EPHX2L3MBTL1 | |
| SCHEMBL5652285 | 0.75 | L3MBTL1 (0.52) | HTTALDH1A1TAAR1EPHX2NPC1 |
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-6613880-B2 | Autoimmune diseases; inflammatory conditions; competitive binding with Human Leukocyte Antigen displacing disease-inducing endogenous peptides | PHARMACIA CORPORATION | 2003-09-02 | — | — | US | claimed |