Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 5/20 | 0.32 |
| ▸ | GNPAT | O15228 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | RIMKLA | Q8IXN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13881436 | 0.88 | MAPT (0.33) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13034838 | 0.83 | CYP1A2 (0.34) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13745511 | 0.81 | SMN1; SMN2 (0.48) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1082586 | 0.79 | NOD1 (0.43) | MAPTALDH1A1KDM4ENOD1FOLH1 | |
| SCHEMBL13267743 | 0.77 | USP2 (0.44) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13130795 | 0.76 | FOLH1 (0.41) | MEN1KMT2ANOD1FOLH1SMN1; SMN2 | |
| SCHEMBL8767803 | 0.75 | NOD1 (0.37) | MAPTALDH1A1KDM4ENOD1FOLH1 | |
| SCHEMBL288045 | 0.75 | CA2 (0.50) | MAPTMAPK1NOD1 | |
| SCHEMBL201058 | 0.75 | CA2 (0.50) | MAPTMAPK1NOD1 | |
| SCHEMBL429475 | 0.75 | CA2 (0.50) | MAPTMAPK1NOD1 |
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-2017044633-A1 | PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 | AILERON THERAPEUTICS, INC. (US) | 2017-03-16 | — | — | WO | disclosed |