Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28908736 | 0.74 | PHGDH (0.40) | PHGDHFAAHMGLL | |
| SCHEMBL3724836 | 0.68 | SLC7A5 (0.39) | TSHRDPP4DPP8DPP9DPP7 | |
| SCHEMBL7707572 | 0.66 | TSHR (0.39) | PHGDHFAAHMGLLADH1BADH1C | |
| SCHEMBL6932731 | 0.66 | HSD11B1 (0.39) | PHGDHADH1CADH1ATSHR | |
| SCHEMBL973483 | 0.65 | HSD11B1 (0.37) | PHGDHADH1CADH1ATSHR | |
| SCHEMBL4453296 | 0.64 | TSHR (0.42) | ADH1BADH1CADH1ATSHR | |
| SCHEMBL10579327 | 0.64 | ALOX5 (0.33) | TSHR | |
| SCHEMBL7185975 | 0.64 | ADH1A (0.43) | PHGDHFAAHMGLLADH1BADH1C | |
| SCHEMBL15302649 | 0.62 | ADH1A (0.41) | PHGDHFAAHMGLLADH1BADH1C | |
| SCHEMBL5498956 | 0.62 | FAAH (0.42) | PHGDHFAAHMGLLADH1BADH1C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192128-A4 | THIOL DERIVATIVE, METALLO-BETA-LACTAMASE INHIBITORS | MERCK & CO INC (US) | 2003-07-02 | — | — | EP | disclosed |
| EP-1192128-A1 | THIOL DERIVATIVE, METALLO-BETA-LACTAMASE INHIBITORS | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076962-A1 | THIOL DERIVATIVE, METALLO-BETA-LACTAMASE INHIBITORS | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |