Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 7/20 | 0.55 |
| ▸ | BACE1 | P56817 | 5/20 | 0.55 |
| ▸ | CCR3 | P51677 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | SCN4A | P35499 | 2/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL20624030 | 1.00 | ACHE (0.66) | ACHEALDH1A1BCHEBACE1CCR3 | |
| SCHEMBL9918617 | 1.00 | ACHE (0.66) | ACHEALDH1A1BCHEBACE1CCR3 | |
| SCHEMBL6104773 | 0.87 | FUCA1 (0.60) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16080228 | 0.87 | FUCA1 (0.60) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20901984 | 0.87 | FUCA1 (0.60) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2621402 | 0.87 | FUCA1 (0.60) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10041956 | 0.87 | FUCA1 (0.60) | ACHECYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21917967 | 0.86 | ACHE (0.62) | ACHEALDH1A1BCHEBACE1CCR3 | |
| SCHEMBL20624040 | 0.85 | ACHE (0.60) | ACHEALDH1A1BCHEBACE1CCR3 | |
| SCHEMBL736286 | 0.85 | ALDH1A1 (0.62) | ACHEALDH1A1BCHEBACE1CCR3 |
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-3078665-A1 | EFFICIENT METHOD FOR THE PREPARATION OF TOFACITINIB CITRATE | OLON S.p.A. (IT) | 2016-10-12 | — | — | EP | disclosed |
| EP-2123651-A1 | CONDENSED PYRIDINE COMPOUND | Astellas Pharma Inc. (JP) | 2009-11-25 | — | — | EP | disclosed |