Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.57 |
| ▸ | HTR3B | O95264 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HTR7 | P34969 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | HTR3A | P46098 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29769959 | 1.00 | NPC1 (0.60) | NPC1RAB9AHTTHTR3EHTR3B | |
| SCHEMBL1535788 | 0.85 | MAPT (0.60) | NPC1RAB9AHTTTP53HTR2A | |
| SCHEMBL5184547 | 0.85 | KMT2A (0.55) | NPC1RAB9AHTTTP53KMT2A | |
| SCHEMBL1999202 | 0.84 | MAPKAPK2 (0.65) | NPC1RAB9AHTTHTR3EHTR3B | |
| SCHEMBL5084566 | 0.84 | USP2 (0.66) | NPC1RAB9AHTTHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL19810343 | 0.84 | MAPT (0.59) | NPC1RAB9AHTTTP53HTR2A | |
| Hydrochloric Acid SCHEMBL2000045 | 0.83 | MAPKAPK2 (0.64) | NPC1RAB9AHTTHTR3EHTR3B | |
| SCHEMBL3679282 | 0.82 | P4HTM (0.58) | RAB9AHTTKDM4ELMNASMN1; SMN2 | |
| SCHEMBL24891825 | 0.82 | RAB9A (0.64) | NPC1RAB9AHTTTP53CYP2C9 | |
| SCHEMBL2303373 | 0.82 | HDAC8 (0.62) | NPC1RAB9ATP53THRBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114751874-A | 1-benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoting agents and application thereof | 江南大学 | 2022-07-15 | — | — | CN | disclosed |