Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT2B7 | P16662 | 1/20 | 0.53 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.48 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.48 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | CDC42 | P60953 | 1/20 | 0.44 |
| ▸ | RAC1 | P63000 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5319511 | 1.00 | UGT2B7 (0.53) | UGT2B7SLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL19650503 | 1.00 | UGT2B7 (0.53) | UGT2B7SLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL5455403 | 1.00 | UGT2B7 (0.53) | UGT2B7SLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL17451236 | 0.83 | UGT2B7 (0.56) | UGT2B7MMP9AKR1B1AKR1C3AKR1C2 | |
| SCHEMBL16728482 | 0.82 | UGT2B7 (0.47) | UGT2B7SLC1A3SLC1A2SLC1A1MMP9 | |
| SCHEMBL7832132 | 0.80 | NR1I2 (0.58) | UGT2B7SLC1A3SLC1A2SLC1A1PTGS1 | |
| SCHEMBL24156377 | 0.80 | DPP4 (0.51) | ADRA2AADRA2C | |
| SCHEMBL180086 | 0.80 | DPP4 (0.51) | ADRA2AADRA2C | |
| SCHEMBL383451 | 0.80 | DPP4 (0.51) | ADRA2AADRA2C | |
| SCHEMBL8882516 | 0.80 | DPP4 (0.51) | ADRA2AADRA2C |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699074-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-11-13 | — | — | EP | claimed |
| EP-0699074-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 1998-03-11 | — | — | EP | claimed |
| EP-0699074-A1 | THROMBIN INHIBITORS | MERCK & CO. INC. (US) | 1996-03-06 | — | — | EP | claimed |
| WO-1994025051-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1994-11-10 | — | — | WO | claimed |
| EP-0699074-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-11-13 | — | — | EP | disclosed |
| EP-0699074-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 1998-03-11 | — | — | EP | disclosed |
| EP-0699074-A1 | THROMBIN INHIBITORS | MERCK & CO. INC. (US) | 1996-03-06 | — | — | EP | disclosed |
| WO-1994025051-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1994-11-10 | — | — | WO | disclosed |