Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| Lithium SCHEMBL7185471 | 0.98 | RAB9A (0.66) | RAB9ANPC1SMN1; SMN2LMNACA12 | |
| SCHEMBL28413277 | 0.86 | RAB9A (0.51) | RAB9ANPC1SMN1; SMN2OPRD1OPRK1 | |
| SCHEMBL12803743 | 0.86 | SMN1; SMN2 (0.51) | RAB9ANPC1SMN1; SMN2LMNAHSP90AA1 | |
| SCHEMBL418384 | 0.85 | RAB9A (0.57) | RAB9ANPC1SMN1; SMN2OPRD1OPRK1 | |
| SCHEMBL28418521 | 0.84 | RAB9A (0.50) | RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL28419096 | 0.84 | RAB9A (0.50) | RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL28413304 | 0.84 | RAB9A (0.67) | RAB9ANPC1SMN1; SMN2LMNATP53 | |
| Hydrochloric Acid SCHEMBL10505424 | 0.84 | RAB9A (0.50) | RAB9ANPC1SMN1; SMN2OPRD1OPRK1 | |
| SCHEMBL28419652 | 0.84 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL28418471 | 0.84 | RAB9A (0.49) | RAB9ANPC1SMN1; SMN2 |
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-1083897-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-01-02 | — | — | EP | disclosed |
| EP-1083897-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062513-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |