Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CPT2 | P23786 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18492198 | 0.93 | CYP1A2 (0.38) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20021202 | 0.93 | CYP1A2 (0.38) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18773764 | 0.86 | ALDH1A1 (0.42) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7741623 | 0.78 | CES2 (0.41) | HSD17B10ALDH1A1FFAR1TDP1MEN1 | |
| SCHEMBL1012264 | 0.77 | MAPT (0.42) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL15799742 | 0.77 | CES2 (0.40) | HSD17B10ALDH1A1FFAR1TDP1MEN1 | |
| Hydrochloric Acid SCHEMBL15799582 | 0.77 | CES2 (0.40) | HSD17B10ALDH1A1FFAR1TDP1MEN1 | |
| SCHEMBL602186 | 0.75 | ARG1 (0.53) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL600737 | 0.75 | ARG1 (0.53) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL600736 | 0.75 | ARG1 (0.53) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3301108-A1 | TRIAZOLE MACROCYCLE SYSTEMS | Aileron Therapeutics, Inc. (US) | 2018-04-04 | — | — | EP | disclosed |