Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 9/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL17894159 | 0.84 | ALDH1A1 (0.39) | ALDH1A1KDM4ERAB9ANPC1TP53 | |
| SCHEMBL26633266 | 0.77 | GBA1 (0.33) | ALDH1A1KDM4ERAB9ANPC1MAPK1 | |
| SCHEMBL29739484 | 0.77 | GBA1 (0.33) | ALDH1A1KDM4ERAB9ANPC1MAPK1 | |
| SCHEMBL11553511 | 0.75 | DRD2 (0.38) | ALDH1A1KDM4ERAB9ANPC1MAPK1 | |
| SCHEMBL24616754 | 0.74 | ALDH1A1 (0.36) | ALDH1A1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL6112557 | 0.72 | KDM4E (0.38) | ALDH1A1KDM4ERAB9ANPC1MAPK1 | |
| SCHEMBL15897081 | 0.72 | RAB9A (0.42) | ALDH1A1KDM4ERAB9ANPC1TP53 | |
| SCHEMBL24397858 | 0.71 | ALDH1A1 (0.36) | ALDH1A1KDM4ERAB9ANPC1TP53 | |
| SCHEMBL30907288 | 0.71 | — | — | |
| SCHEMBL5526276 | 0.70 | ALDH1A1 (0.47) | ALDH1A1KDM4ERAB9ANPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016106628-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |
| WO-2016106629-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |