Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.72 |
| ▸ | FABP1 | P07148 | 1/20 | 0.70 |
| ▸ | FABP6 | P51161 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | F2 | P00734 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | NOS1 | P29475 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28471889 | 0.86 | CXCR4 (0.74) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL10055052 | 0.85 | F2 (0.63) | F2GAATP53BCHEMEN1 | |
| SCHEMBL29351380 | 0.85 | CXCR4 (1.00) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL589266 | 0.85 | CXCR4 (1.00) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL2230559 | 0.83 | FABP1 (1.00) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL29664808 | 0.83 | FABP1 (1.00) | CXCR4FABP1FABP6KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL4696844 | 0.81 | FABP1 (0.96) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL27585010 | 0.81 | FABP1 (0.96) | CXCR4FABP1FABP6KDM4ENPC1 | |
| Fluoride SCHEMBL28270594 | 0.81 | FABP1 (0.96) | CXCR4FABP1FABP6KDM4ENPC1 | |
| SCHEMBL14075904 | 0.81 | F2 (0.70) | F2GAATP53BCHEMEN1 |
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-0927035-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-11-13 | — | — | EP | disclosed |
| EP-0927035-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-07-07 | — | — | EP | disclosed |
| US-5872138-A | INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| WO-1998010763-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-03-19 | — | — | WO | disclosed |