Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 6/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16201996 | 0.74 | FLT3 (0.44) | MAPTLMNAALDH1A1HPGDTSHR | |
| SCHEMBL3346133 | 0.73 | SIRT3 (0.38) | MAPTLMNAPARP1PARP2PARP3 | |
| SCHEMBL299870 | 0.72 | HCRTR1 (0.48) | NPC1MAPTLMNAPARP1KDM4E | |
| SCHEMBL3328193 | 0.71 | NPC1 (0.57) | NPC1MAPTKDM4EALDH1A1RAB9A | |
| SCHEMBL30444401 | 0.71 | NPC1 (0.57) | NPC1MAPTKDM4EALDH1A1RAB9A | |
| SCHEMBL1955751 | 0.71 | ALDH1A1 (0.41) | MAPTLMNAKDM4EALDH1A1HPGD | |
| SCHEMBL14064641 | 0.71 | NCF1 (0.39) | MAPTLMNASMN1; SMN2 | |
| SCHEMBL16277896 | 0.71 | CSNK2A1 (0.45) | MAPTLMNAKDM4EALDH1A1PKM | |
| Hydrochloric Acid SCHEMBL4832614 | 0.70 | PDE9A (0.38) | MAPTLMNASMN1; SMN2 | |
| SCHEMBL15157469 | 0.69 | NPC1 (0.51) | NPC1MAPTLMNAPARP1PARP2 |
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-3258929-A1 | FACTOR IXa INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-12-27 | — | — | EP | claimed |
| EP-3229801-A1 | FACTOR IXA INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-10-18 | — | — | EP | claimed |
| WO-2016133793-A1 | FACTOR IXa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-08-25 | — | — | WO | claimed |
| WO-2016094260-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-16 | — | — | WO | claimed |