Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL713066 | 0.81 | NPC1 (0.47) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL467101 | 0.79 | RAB9A (0.47) | ALDH1A1CYP3A4KDM4EMAPTNPC1 | |
| SCHEMBL29663058 | 0.78 | ALDH1A1 (0.54) | TGFBR1ALDH1A1CYP3A4KDM4EMAPT | |
| SCHEMBL713792 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP3A4KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL715296 | 0.75 | LMNA (0.52) | ALDH1A1CYP3A4KDM4EMAPTTOP1 | |
| SCHEMBL15229223 | 0.73 | ALDH1A1 (0.43) | TGFBR1ALDH1A1CYP3A4KDM4EMAPT | |
| SCHEMBL17195073 | 0.73 | TOP1 (0.56) | TGFBR1ALDH1A1CYP3A4TOP1NPC1 | |
| SCHEMBL11992044 | 0.73 | TGFBR1 (0.60) | TGFBR1ALDH1A1CYP3A4KDM4ENPC1 | |
| SCHEMBL37815 | 0.72 | KDM4E (0.54) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL21352271 | 0.72 | KDM4E (0.52) | TGFBR1ALDH1A1CYP3A4KDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513059-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2012-10-24 | — | — | EP | claimed |
| EP-2513059-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2012-10-24 | — | — | EP | disclosed |