Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8715153 | 0.76 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2UGT2B7 | |
| SCHEMBL10561229 | 0.67 | SLC6A4 (0.52) | SLC6A2SLC6A4SLC6A3KCNH2KMT2A | |
| SCHEMBL30919037 | 0.62 | TDP1 (0.31) | — | |
| SCHEMBL31046817 | 0.61 | UGT2B7 (0.52) | UGT2B7HSD11B1KMT2AALDH1A1MEN1 | |
| SCHEMBL8983490 | 0.61 | UGT2B7 (0.52) | SLC6A2SLC6A4SLC6A3UGT2B7HSD11B1 | |
| SCHEMBL3517519 | 0.61 | SLC6A4 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL11078082 | 0.60 | SLC6A4 (0.40) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL599956 | 0.60 | UGT2B7 (0.71) | UGT2B7ADRA2AADRA2BADRA2CKMT2A | |
| Naphthalene SCHEMBL9636781 | 0.60 | UGT2B7 (0.71) | UGT2B7ADRA2AADRA2BADRA2CKMT2A | |
| SCHEMBL9179436 | 0.60 | UGT2B7 (0.71) | UGT2B7ADRA2AADRA2BADRA2CKMT2A |
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-5719291-A | FUNGICIDE | HOFFMANN-LA ROCHE INC. (US) | 1998-02-17 | — | — | US | disclosed |