Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7001403 | 0.81 | SLC6A3 (0.78) | SLC6A3KMT2AALDH1A1MAPTLMNA | |
| SCHEMBL4194116 | 0.77 | SLC6A3 (1.00) | SLC6A3KMT2AALDH1A1MAPTLMNA | |
| SCHEMBL6998367 | 0.74 | SLC6A3 (1.00) | SLC6A3KMT2AALDH1A1MAPTLMNA | |
| SCHEMBL3122638 | 0.69 | OPRM1 (0.52) | SLC6A3OPRM1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7002087 | 0.68 | SLC6A3 (0.79) | SLC6A3KMT2AALDH1A1MAPTLMNA | |
| Hydrochloric Acid SCHEMBL6167759 | 0.66 | OPRM1 (0.68) | SLC6A3OPRM1SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL12497571 | 0.65 | OPRM1 (0.59) | SLC6A3OPRM1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL556661 | 0.65 | RORC (0.40) | SLC6A3KMT2AOPRM1 | |
| SCHEMBL6169426 | 0.65 | SLC6A4 (0.58) | SLC6A3OPRM1SLC6A2SLC6A4 | |
| SCHEMBL14986295 | 0.65 | SLC6A4 (0.71) | SLC6A3CYP2D6SLC6A2SLC6A4KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242080-A4 | DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE | UNIV GEORGETOWN (US) | 2003-01-22 | — | — | EP | claimed |
| EP-1242080-A1 | DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE | GEORGETOWN UNIVERSITY (US) | 2002-09-25 | — | — | EP | claimed |
| WO-2001022964-A1 | DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE | GEORGETOWN UNIVERSITY (US) | 2001-04-05 | — | — | WO | claimed |