Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28235191 | 0.88 | CHRNB2 (0.55) | CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL17432 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL28235189 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL18044 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2076896 | 0.86 | — | — | |
| Bromide SCHEMBL4240042 | 0.86 | — | — | |
| Phosphine SCHEMBL18110397 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2239040 | 0.84 | CYP1A2 (0.54) | CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7 | |
| Hypochlorous Acid SCHEMBL7837490 | 0.84 | CYP1A2 (0.54) | CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7 | |
| Acetic Acid SCHEMBL28816937 | 0.79 | NAPRT (0.59) | CYP1A2TDP1NAPRTCYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105001206-A | Inhibitors of Bruton's Tyrosine Kinase | HOFFMANN LA ROCHE | 2015-10-28 | — | — | CN | disclosed |
| CN-102341383-B | Inhibitors of bruton's tyrosine kinase | HOFFMAN-LA ROCHE LTD. (CH) | 2015-09-16 | — | — | CN | disclosed |