Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.49 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.49 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL19385363 | 0.86 | USP30 (0.54) | HPGDSMN1; SMN2NPC1RAB9ATSHR | |
| SCHEMBL13114282 | 0.85 | ALDH1A1 (0.57) | HPGDSMN1; SMN2NPC1RAB9ATSHR | |
| SCHEMBL16463737 | 0.84 | CYP2C19 (0.55) | HPGDSMN1; SMN2NPC1RAB9ATLR9 | |
| SCHEMBL16463738 | 0.84 | CYP2C19 (0.55) | HPGDSMN1; SMN2NPC1RAB9ATLR9 | |
| SCHEMBL23247961 | 0.80 | CYP2C19 (0.53) | HPGDSMN1; SMN2NPC1RAB9ATLR9 | |
| SCHEMBL23601703 | 0.79 | MAPT (0.65) | HPGDSMN1; SMN2NPC1RAB9ATSHR | |
| SCHEMBL23411415 | 0.79 | MAPT (0.58) | HPGDSMN1; SMN2NPC1RAB9ATSHR | |
| Trifluoroacetic Acid SCHEMBL29563517 | 0.77 | USP30 (0.46) | HPGDSMN1; SMN2NPC1TSHRTLR9 | |
| SCHEMBL21065193 | 0.76 | RAB9A (0.53) | HPGDSMN1; SMN2NPC1RAB9ATSHR | |
| SCHEMBL8245036 | 0.76 | NR1H4 (0.68) | — |
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-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |