Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10281378 | 1.00 | HAVCR2 (0.47) | HAVCR2HRH4SMPD3NPC1RAB9A | |
| SCHEMBL171272 | 0.98 | HAVCR2 (0.48) | HAVCR2HRH4SMPD3NPC1RAB9A | |
| SCHEMBL2756447 | 0.93 | — | — | |
| SCHEMBL1916066 | 0.76 | HTR2C (0.41) | HAVCR2PARP1PARP15PARP3TYMS | |
| SCHEMBL1916539 | 0.76 | HAVCR2 (0.37) | HAVCR2PARP1PARP15PARP3TYMS | |
| SCHEMBL9443478 | 0.73 | HRH4 (0.37) | HRH4SMPD3TSHRHPGD | |
| SCHEMBL9443465 | 0.73 | SMPD3 (0.42) | HRH4SMPD3TSHRHPGD | |
| SCHEMBL18780517 | 0.73 | HRH4 (0.37) | HRH4SMPD3TSHRHPGD | |
| SCHEMBL23732125 | 0.72 | HAVCR2 (0.36) | HAVCR2NOS3NOS1NOS2 | |
| SCHEMBL24549321 | 0.72 | HRH4 (0.37) | HRH4SMPD3TSHRKDM4E |
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-2015144001-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | 南京明德新药研发股份有限公司 | 2015-10-01 | — | — | WO | disclosed |