Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR2 | O60603 | 2/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28641840 | 0.93 | TLR2 (0.52) | TLR2ADRB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL2306348 | 0.87 | ALOX5 (0.58) | TLR2ADRB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL3918577 | 0.85 | TSHR (0.56) | TLR2ADRB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL6011765 | 0.84 | ENPP2 (0.46) | CYP1A2CYP2C19CYP2C9SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL10902411 | 0.84 | TSHR (0.55) | TLR2ADRB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL4576875 | 0.81 | TLR2 (0.46) | TLR2ADRB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL2876503 | 0.80 | ADRB1 (0.59) | TLR2ADRB1CYP1A2CYP2C19CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL28001681 | 0.80 | PLOD2 (0.46) | CYP1A2CYP2C19CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL27468395 | 0.80 | GPR119 (0.49) | CYP2C19SMN1; SMN2HPGDRAB9ATP53 | |
| SCHEMBL8463040 | 0.80 | ESR1 (0.51) | CYP1A2CYP2C19CYP2C9SMN1; SMN2HPGD |
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-1112251-A1 | AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | Aventis Pharma S.A. (FR) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015609-A1 | AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | AVENTIS PHARMA S.A. (FR) | 2000-03-23 | — | — | WO | disclosed |