Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEP1B | Q16820 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | NOS1 | P29475 | 2/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870414 | 0.85 | NOS1 (0.51) | NOS1NOS2BCHECHRNB2CHRNA4 | |
| SCHEMBL3416236 | 0.85 | NOS1 (0.51) | CYP2D6NOS1NOS2BCHECHRNB2 | |
| SCHEMBL3046818 | 0.83 | ACHE (0.56) | CYP2D6NOS1NOS2BCHECHRNB2 | |
| SCHEMBL3719288 | 0.83 | NOS1 (0.50) | NOS1NOS2BCHECHRNB2CHRNA4 | |
| SCHEMBL29975974 | 0.82 | KMT2A (0.51) | MEP1BCYP2D6BCHEKMT2ADHFR | |
| SCHEMBL2932600 | 0.82 | KMT2A (0.51) | MEP1BCYP2D6BCHEKMT2ADHFR | |
| SCHEMBL9871961 | 0.82 | NOS1 (0.49) | CYP2D6NOS1NOS2BCHEKMT2A | |
| SCHEMBL59488 | 0.82 | KDM4E (0.61) | KMT2ADHFRTSHRGGPS1KDM4E | |
| SCHEMBL10968800 | 0.81 | NOS1 (0.45) | NOS1NOS2BCHEKMT2ACHRNB2 | |
| SCHEMBL10970748 | 0.80 | FFAR1 (0.50) | MEP1BBCHEKMT2ATSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009126635-A1 | 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES | ABBOTT LABORATORIES (US) | 2009-10-15 | — | — | WO | disclosed |