Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408816 | 0.73 | GABRR1 (0.37) | GABRR1LMNAKDM4EAGBL2GAA | |
| SCHEMBL11867562 | 0.67 | PIN1 (0.59) | GABRR1CYP1A2HSD17B10MAPK1KDM4E | |
| SCHEMBL16654958 | 0.66 | PLAUR (0.37) | LMNAKMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL11854762 | 0.66 | PIN1 (0.58) | GABRR1CYP1A2HSD17B10MAPK1KDM4E | |
| SCHEMBL27878810 | 0.64 | AGBL2 (0.45) | GABRR1CYP1A2HSD17B10KDM4EMAPT | |
| SCHEMBL11855519 | 0.64 | GABRR1 (0.41) | GABRR1KDM4EAGBL2HTT | |
| SCHEMBL28944518 | 0.63 | MAPKAPK2 (0.46) | GABRR1CYP1A2KDM4EAGBL2GABRA5 | |
| SCHEMBL4421374 | 0.63 | HTT (0.39) | HSD17B10LMNAMAPK1KDM4EMAPT | |
| SCHEMBL11863276 | 0.63 | SMPD3 (0.43) | GABRR1KDM4EMAPTAGBL2 | |
| SCHEMBL11864781 | 0.63 | AURKA (0.43) | GABRR1CYP1A2KDM4EAGBL2HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934305-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0934305-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-08-11 | — | — | EP | disclosed |
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| WO-1998008840-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-03-05 | — | — | WO | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |