Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.69 |
| ▸ | RAB9A | P51151 | 4/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.60 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2918147 | 0.90 | NPC1 (0.83) | NPC1RAB9AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL21773960 | 0.85 | HDAC6 (0.62) | RAB9AALDH1A1CTDSP1HPGDMEN1 | |
| SCHEMBL2526264 | 0.84 | NPC1 (0.83) | NPC1RAB9AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9416606 | 0.82 | NPC1 (0.82) | NPC1RAB9AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL11761142 | 0.82 | NPC1 (0.82) | NPC1RAB9AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL1926263 | 0.82 | NPC1 (1.00) | NPC1RAB9AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8213132 | 0.81 | SLC6A9 (0.60) | RAB9ACYP1A2CYP2C19HPGDMEN1 | |
| SCHEMBL11022457 | 0.80 | FPR2 (0.60) | NPC1RAB9AALDH1A1POLBCTDSP1 | |
| SCHEMBL5862101 | 0.80 | NPC1 (1.00) | NPC1RAB9AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL28497417 | 0.80 | NPC1 (1.00) | NPC1RAB9AALDH1A1CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0960084-A1 | NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS | AXYS PHARMACEUTICALS, INC. (US) | 1999-12-01 | — | — | EP | disclosed |
| WO-1998033751-A1 | NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS | AXYS PHARMACEUTICALS, INC. (US) | 1998-08-06 | — | — | WO | disclosed |