Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8204736 | 0.83 | CA12 (0.63) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL383371 | 0.83 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2723234 | 0.82 | NPC1 (0.75) | NPC1RAB9ACTSDHDAC1LMNA | |
| SCHEMBL28924750 | 0.81 | NPC1 (0.56) | NPC1RAB9ACTSDSMN1; SMN2GAA | |
| SCHEMBL8523809 | 0.81 | KAT6A (0.57) | NPC1CA12CA1CA2CA7 | |
| Methyl 2,6-Dimethoxybenzoate SCHEMBL2095636 | 0.79 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5706070 | 0.76 | TSHR (0.55) | NPC1CA1CA2CA9LMNA | |
| Hydrochloric Acid SCHEMBL6932941 | 0.76 | CA12 (0.67) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL20919657 | 0.75 | SMN1; SMN2 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2095632 | 0.75 | CA12 (0.55) | CA12CA1CA2CA7CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |