Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AMPD3 | Q01432 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6616613 | 0.88 | AMPD3 (0.48) | HPGDALDH1A1KDM4ENPSR1TSHR | |
| SCHEMBL12419947 | 0.88 | HPGD (0.48) | HPGDALDH1A1KDM4ENPSR1TSHR | |
| SCHEMBL2129601 | 0.80 | ALDH1A1 (0.49) | HPGDALDH1A1KDM4ENPSR1TSHR | |
| SCHEMBL2831563 | 0.79 | HPGD (0.43) | HPGDALDH1A1KDM4ENPSR1TSHR | |
| SCHEMBL15936293 | 0.78 | ALDH1A1 (0.58) | HPGDALDH1A1KDM4ENPSR1TSHR | |
| SCHEMBL161775 | 0.78 | ALDH1A1 (0.50) | HPGDALDH1A1KDM4ENPSR1TSHR | |
| SCHEMBL13104720 | 0.78 | ALDH1A1 (0.50) | HPGDALDH1A1KDM4ENPSR1TSHR | |
| SCHEMBL161776 | 0.78 | LMNA (0.56) | HPGDALDH1A1KDM4ENPSR1TSHR | |
| SCHEMBL19358734 | 0.77 | ALDH1A1 (0.50) | HPGDALDH1A1KDM4ENPSR1TSHR | |
| Bromide SCHEMBL1440188 | 0.77 | ALDH1A1 (0.47) | HPGDALDH1A1KDM4ENPSR1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018005249-A1 | BENZOISOQUINOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2018-01-04 | — | — | WO | disclosed |
| WO-2017160670-A1 | M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. (US) | 2017-09-21 | — | — | WO | disclosed |
| EP-2709451-A1 | N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2014-03-26 | — | — | EP | disclosed |
| EP-2588104-A1 | ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012158475-A1 | N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-11-22 | — | — | WO | disclosed |
| WO-2012003147-A1 | ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-05 | — | — | WO | disclosed |