Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2643694 | 0.79 | NPC1 (0.49) | NPC1RAB9ATP53PKMHPGD | |
| SCHEMBL2643123 | 0.68 | ALDH1A1 (0.48) | NPC1RAB9ATP53ALDH1A1HTT | |
| SCHEMBL2666713 | 0.67 | NPC1 (0.46) | NPC1RAB9ATP53PKMHPGD | |
| SCHEMBL2644277 | 0.66 | ALDH1A1 (0.48) | NPC1RAB9ATP53PKMHPGD | |
| SCHEMBL2642774 | 0.66 | ALDH1A1 (0.46) | NPC1RAB9AALDH1A1GAAMEN1 | |
| SCHEMBL2643343 | 0.65 | KMT2A (0.44) | NPC1RAB9ATP53PKMHPGD | |
| SCHEMBL1619122 | 0.65 | GAA (0.50) | NPC1RAB9ATP53PKMHPGD | |
| SCHEMBL2642769 | 0.64 | KMT2A (0.44) | TP53HPGDALDH1A1HTTGAA | |
| SCHEMBL1617952 | 0.64 | KDM4E (0.44) | NPC1RAB9ATP53PKMHPGD | |
| SCHEMBL969459 | 0.64 | NPC1 (0.71) | NPC1RAB9ATP53PKMHPGD |
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-2007053657-A1 | SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-10 | — | — | WO | disclosed |