Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CPN1 | P15169 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8810372 | 0.98 | ALDH1A1 (0.38) | ALDH1A1SLC6A1SLC6A11TSHRLMNA | |
| Hydrochloric Acid SCHEMBL8810897 | 0.98 | ALDH1A1 (0.38) | ALDH1A1SLC6A1SLC6A11TSHRLMNA | |
| SCHEMBL9038793 | 0.80 | ALDH1A1 (0.39) | ALDH1A1SLC6A1SLC6A11TSHRLMNA | |
| SCHEMBL6002610 | 0.80 | ALDH1A1 (0.39) | ALDH1A1SLC6A1SLC6A11TSHRLMNA | |
| SCHEMBL1079540 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNAKMT2AATM | |
| SCHEMBL701944 | 0.72 | ALDH1A1 (0.41) | ALDH1A1SLC6A1SLC6A11SLC6A13MAPT | |
| SCHEMBL9574625 | 0.72 | ALDH1A1 (0.38) | ALDH1A1LMNAKDM4ESOAT1SLC6A2 | |
| SCHEMBL16903395 | 0.71 | SLC6A1 (0.36) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL28874519 | 0.71 | SLC6A1 (0.47) | ALDH1A1SLC6A1SLC6A11TSHRLMNA | |
| SCHEMBL4014963 | 0.70 | ALDH1A1 (0.43) | ALDH1A1LMNAKMT2AATMCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0802190-A1 | Process and intermediates for preparing azepines | F. HOFFMANN-LA ROCHE AG (CH) | 1997-10-22 | — | — | EP | disclosed |