Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TGM2 | P21980 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NMT1 | P30419 | 1/20 | 0.47 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29294697 | 0.79 | MAPT (0.57) | TDP1MAPTPOLBTGM2NPC1 | |
| SCHEMBL18461277 | 0.79 | MAPT (0.67) | TDP1MAPTPOLBTGM2NPC1 | |
| SCHEMBL27175344 | 0.79 | TDP1 (0.50) | TDP1MAPTPOLBTGM2NPC1 | |
| SCHEMBL12113186 | 0.78 | MAPT (0.61) | TDP1MAPTPOLBTGM2NPC1 | |
| SCHEMBL11518052 | 0.78 | TDP1 (0.54) | TDP1MAPTPOLBTGM2NPC1 | |
| SCHEMBL9253909 | 0.78 | MAPT (0.61) | TDP1MAPTPOLBTGM2NPC1 | |
| SCHEMBL12440049 | 0.78 | MAPT (0.61) | TDP1MAPTPOLBTGM2NPC1 | |
| SCHEMBL1454275 | 0.77 | TDP1 (0.65) | TDP1MAPTPOLBTGM2NPC1 | |
| SCHEMBL10192084 | 0.77 | TDP1 (0.48) | TDP1MAPTPOLBTGM2NPC1 | |
| SCHEMBL18890701 | 0.76 | MEN1 (0.47) | MAPTNPC1RAB9AMEN1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9657004-B2 | Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use | AGIOS PHARMACEUTICALS, INC (US) | 2017-05-23 | — | — | US | disclosed |