Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2899790 | 0.85 | CA1 (0.41) | CA1CA2CA9CA12CA14 | |
| SCHEMBL231190 | 0.82 | CES2 (0.46) | CA1CA2CA9CA12CA14 | |
| SCHEMBL27852572 | 0.79 | CA1 (0.46) | CA1CA2CA9CA12CA14 | |
| SCHEMBL29882017 | 0.79 | HTR2A (0.40) | IDO1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL20838394 | 0.79 | HTR2A (0.40) | IDO1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL20838393 | 0.79 | HTR2A (0.40) | IDO1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL3709776 | 0.78 | PARP1 (0.36) | IDO1TDO2CYP2D6 | |
| SCHEMBL23429078 | 0.78 | ACHE (0.40) | CA1CA2CA9CA12CA14 | |
| SCHEMBL17064619 | 0.78 | CA1 (0.41) | CA1CA2CA9CA12CA14 | |
| SCHEMBL8576357 | 0.75 | ADORA2A (0.41) | CA1CA2CA9CA12CA14 |
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-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |