Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL22969642 | 0.80 | NR3C1 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL23922914 | 0.80 | NR3C1 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29487590 | 0.80 | NR3C1 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL24497826 | 0.80 | NR3C1 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL24461026 | 0.70 | MAOB (0.42) | KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL24461039 | 0.70 | MAOB (0.42) | KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL24497825 | 0.69 | HCRTR2 (0.38) | OPRM1HCRTR2TRPV6SLC18A3KMT2A | |
| SCHEMBL26979515 | 0.69 | HCRTR2 (0.38) | OPRM1HCRTR2TRPV6SLC18A3KMT2A | |
| SCHEMBL23922957 | 0.69 | HCRTR2 (0.35) | IDO1HCRTR2 | |
| SCHEMBL23922959 | 0.69 | HCRTR2 (0.35) | IDO1HCRTR2 |
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-4255429-A1 | 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS | Merck Sharp & Dohme LLC (US) | 2023-10-11 | — | — | EP | disclosed |
| WO-2022119888-A1 | 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-06-09 | — | — | WO | disclosed |