Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.75 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.62 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.62 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.62 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28747604 | 0.88 | KDM4E (0.70) | KDM4EKMT2A | |
| SCHEMBL8873337 | 0.83 | SLC6A1 (0.65) | — | |
| Hydrochloric Acid SCHEMBL8871870 | 0.82 | SLC6A1 (0.64) | — | |
| SCHEMBL947855 | 0.82 | KDM4E (0.62) | KDM4EKMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL10523377 | 0.81 | KDM4E (0.61) | KDM4EKMT2A | |
| SCHEMBL10523381 | 0.81 | ALDH1A1 (0.68) | KDM4EKMT2AALDH1A1 | |
| SCHEMBL28747644 | 0.81 | CHRNB4 (0.62) | KDM4EKMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2450443 | 0.81 | KMT2A (0.60) | KDM4EKMT2AGAA | |
| SCHEMBL3575018 | 0.80 | KDM4E (0.60) | KDM4EKMT2AGAACHRNB2CHRNB4 | |
| SCHEMBL18593785 | 0.79 | S1PR1 (0.67) | KDM4EKMT2AALDH1A1BLM |
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 |