Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12913927 | 1.00 | SLC6A2 (0.59) | SLC6A2TAAR1SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL7043843 | 0.80 | LOXL2 (0.40) | SLC6A2TAAR1CYP2D6LMNACYP3A4 | |
| Phentermine SCHEMBL11072448 | 0.79 | SLC6A2 (0.79) | SLC6A2TAAR1SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL27661243 | 0.79 | SLC6A2 (0.59) | SLC6A2TAAR1SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL27881061 | 0.78 | SLC6A2 (0.52) | SLC6A2TAAR1SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL28416740 | 0.78 | TAAR1 (0.52) | SLC6A2TAAR1SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL96457 | 0.78 | TAAR1 (0.52) | SLC6A2TAAR1SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL18526730 | 0.76 | KDM4E (0.53) | SLC6A2TAAR1SMN1; SMN2CYP2D6CYP2C9 | |
| SCHEMBL2314314 | 0.75 | SLC6A2 (0.48) | SLC6A2TAAR1SMN1; SMN2HIF1ACYP2D6 | |
| SCHEMBL6355991 | 0.75 | TAAR1 (0.48) | SLC6A2TAAR1SMN1; SMN2HIF1ACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107709301-A | Pyrazole derivative or pharmacologically acceptable salt thereof | 橘生药品工业株式会社 | 2018-02-16 | — | — | CN | disclosed |
| WO-2017044633-A1 | PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 | AILERON THERAPEUTICS, INC. (US) | 2017-03-16 | — | — | WO | disclosed |
| WO-2012021876-A2 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012021874-A1 | PEPTIDOMIMETIC MACROCYCLES WITH THIOETHER LINKERS | AILERON THERAPEUTICS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |