Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14634131 | 0.83 | CNR1 (0.44) | NPC1RAB9ASMN1; SMN2TP53LPL | |
| SCHEMBL27882299 | 0.79 | SKP2 (0.46) | LMNANPC1ALDH1A1MAPK1RAB9A | |
| SCHEMBL5167580 | 0.79 | CNR1 (0.41) | TAAR1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL10274472 | 0.78 | TRPA1 (0.46) | TRPA1CYP2A6CYP1A2TAAR1LMNA | |
| SCHEMBL29661799 | 0.78 | TRPA1 (0.46) | TRPA1CYP2A6CYP1A2TAAR1LMNA | |
| SCHEMBL126441 | 0.78 | TRPA1 (0.46) | TRPA1CYP2A6CYP1A2TAAR1LMNA | |
| SCHEMBL9005448 | 0.78 | HTR2A (0.48) | LMNAALDH1A1TP53LPLLIPG | |
| SCHEMBL1423488 | 0.77 | TRPA1 (0.33) | TRPA1CYP1A2ALDH1A1 | |
| SCHEMBL16569466 | 0.77 | CYP4F2 (0.42) | KIF11 | |
| SCHEMBL29865270 | 0.77 | TRPA1 (0.33) | TRPA1CYP1A2ALDH1A1 |
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-3285582-B1 | PHOSPHATE-SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2020-11-11 | — | — | EP | disclosed |
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |
| CN-102557896-A | (Poly) fluorine substituted phenyl diacetylene (bi) phenyl derivative, and preparation method and application thereof | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD | 2012-07-11 | — | — | CN | disclosed |