Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 14/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.54 |
| ▸ | SMURF2 | Q9HAU4 | 1/20 | 0.42 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.40 |
| ▸ | CHRNG | P07510 | 4/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.40 |
| ▸ | CHRND | Q07001 | 4/20 | 0.40 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.39 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5584979 | 0.87 | SLC6A2 (0.50) | SLC6A2SLC6A3KCNH2SLC6A4CYP2D6 | |
| SCHEMBL5584982 | 0.87 | SLC6A2 (0.58) | SLC6A2SLC6A3KCNH2SLC6A4CYP2D6 | |
| SCHEMBL879247 | 0.83 | SLC6A2 (0.57) | SLC6A2SLC6A3KCNH2SLC6A4CYP2D6 | |
| SCHEMBL27014674 | 0.81 | KCNH2 (0.47) | SLC6A2SLC6A3KCNH2SLC6A4CYP2D6 | |
| SCHEMBL826383 | 0.80 | SLC6A2 (0.63) | SLC6A2SLC6A3KCNH2SLC6A4CYP2D6 | |
| SCHEMBL2884802 | 0.79 | HTR2C (0.46) | SLC6A2SLC6A3KCNH2SLC6A4CYP2D6 | |
| SCHEMBL9870878 | 0.79 | SLC6A2 (0.58) | SLC6A2SLC6A3KCNH2SLC6A4CYP2D6 | |
| SCHEMBL3783984 | 0.76 | SLC6A2 (0.42) | SLC6A2SLC6A3KCNH2SLC6A4CYP2D6 | |
| SCHEMBL16959637 | 0.76 | NOTUM (0.41) | — | |
| SCHEMBL22063181 | 0.75 | EPHX2 (0.49) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023122267-A2 | SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION | JNANA THERAPEUTICS INC. (US) | 2023-06-29 | — | — | WO | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |