Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.49 |
| ▸ | MEN1 | O00255 | 7/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10728276 | 0.84 | ALDH1A1 (0.50) | NPC1KMT2AMEN1GAAATM | |
| SCHEMBL28100789 | 0.82 | KMT2A (0.56) | NPC1KMT2AMEN1GAAATM | |
| SCHEMBL28548192 | 0.81 | POLB (0.55) | NPC1KMT2AMEN1GAAATM | |
| SCHEMBL28100790 | 0.81 | NPC1 (0.55) | NPC1KMT2AMEN1GAAATM | |
| SCHEMBL9614867 | 0.80 | NPC1 (0.57) | NPC1KMT2AMEN1GAAATM | |
| SCHEMBL21835087 | 0.80 | KMT2A (0.49) | NPC1KMT2AMEN1GAAATM | |
| SCHEMBL10431761 | 0.80 | SPHK1 (0.56) | NPC1KMT2AMEN1GAAATM | |
| SCHEMBL11619407 | 0.79 | TAS1R3 (0.39) | KMT2AMEN1ALDH1A1LMNAMAPT | |
| SCHEMBL17364296 | 0.78 | PDE4A (0.46) | NPC1KMT2AMEN1GAAATM | |
| SCHEMBL2610069 | 0.78 | KMT2A (0.54) | NPC1KMT2AMEN1GAAATM |
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-2006032342-A2 | CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF | MERCK PATENT GMBH (DE) | 2006-03-30 | — | — | WO | disclosed |
| WO-2004087646-A2 | PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2004-10-14 | — | — | WO | disclosed |