Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17184707 | 0.93 | HSD17B10 (0.39) | ALDH1A1AKR1C3HPGDHSD17B10L3MBTL1 | |
| SCHEMBL12990000 | 0.72 | ALDH1A1 (0.36) | ALDH1A1HPGDHSD17B10L3MBTL1KDM4E | |
| SCHEMBL11533901 | 0.65 | L3MBTL1 (0.44) | ALDH1A1AKR1C3HPGDHSD17B10HRH3 | |
| SCHEMBL8358646 | 0.64 | AKR1C3 (0.45) | ALDH1A1AKR1C3HPGDHSD17B10HRH3 | |
| SCHEMBL8334065 | 0.63 | AKR1C3 (0.44) | ALDH1A1AKR1C3HPGDHSD17B10HRH3 | |
| SCHEMBL9822038 | 0.63 | SIGMAR1 (0.37) | ALDH1A1AKR1C3HPGDHSD17B10HRH3 | |
| SCHEMBL16528913 | 0.62 | MEN1 (0.47) | ALDH1A1AKR1C3HPGDHSD17B10HRH3 | |
| SCHEMBL12279805 | 0.62 | AKR1C3 (0.50) | ALDH1A1AKR1C3HPGDHRH3BRD9 | |
| SCHEMBL31093317 | 0.62 | AKR1C3 (0.43) | ALDH1A1AKR1C3HPGDHRH3MAPT | |
| SCHEMBL8285962 | 0.62 | AKR1C3 (0.45) | ALDH1A1AKR1C3HPGDHSD17B10HRH3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632900-A2 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | claimed |
| WO-2012058128-A2 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | claimed |
| EP-2632900-A2 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058128-A2 | CAPROLACTAM MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |