Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 6/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 5/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL691762 | 0.97 | CYP2C19 (0.57) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL7674344 | 0.95 | CYP2C19 (0.55) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL8178492 | 0.87 | HTR2A (0.59) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL7070422 | 0.85 | CYP2C19 (0.52) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL15155598 | 0.85 | CYP2C19 (0.52) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL9003499 | 0.80 | CYP2C19 (0.55) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL3996056 | 0.80 | CYP2C19 (0.55) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| Ammonia Solution, Strong SCHEMBL28836131 | 0.79 | CYP2C19 (0.50) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| Ammonia Solution, Strong SCHEMBL27994521 | 0.79 | CYP2C19 (0.55) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL10978745 | 0.79 | CYP2C19 (0.46) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4423200-A | FROM POLYURETHANE AND CHAIN EXTENDING AROMATIC DIAMINE | BAYER AKTIENGESELLSCHAFT (DE) | 1983-12-27 | — | — | US | disclosed |