Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 4/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16119506 | 1.00 | AAK1 (0.43) | AAK1ALDH1A1SMN1; SMN2HPGDCYP3A4 | |
| SCHEMBL11110432 | 0.88 | AAK1 (0.41) | AAK1ALDH1A1SMN1; SMN2HPGDCYP3A4 | |
| SCHEMBL11114111 | 0.84 | AAK1 (0.50) | AAK1ALDH1A1SMN1; SMN2HPGDCYP3A4 | |
| SCHEMBL3247050 | 0.83 | AAK1 (0.49) | AAK1ALDH1A1SMN1; SMN2KMT2ATSHR | |
| SCHEMBL11112454 | 0.79 | AAK1 (0.46) | AAK1ALDH1A1SMN1; SMN2CYP3A4CYP2C19 | |
| SCHEMBL14879975 | 0.79 | TSHR (0.53) | AAK1ALDH1A1HPGDCYP3A4CYP2C19 | |
| SCHEMBL16119509 | 0.79 | TSHR (0.53) | AAK1ALDH1A1HPGDCYP3A4CYP2C19 | |
| SCHEMBL16116890 | 0.78 | HPGD (0.41) | AAK1ALDH1A1SMN1; SMN2HPGDCYP3A4 | |
| SCHEMBL11117263 | 0.78 | ALDH1A1 (0.38) | AAK1ALDH1A1SMN1; SMN2HPGDCYP3A4 | |
| SCHEMBL8136302 | 0.76 | AAK1 (0.48) | AAK1ALDH1A1SMN1; SMN2HPGDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013059118-A1 | CYCLOPROPENIMINE CATALYST COMPOSITIONS AND PROCESSES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2013-04-25 | — | — | WO | disclosed |