Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18913835 | 1.00 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL22213818 | 1.00 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL18913873 | 0.80 | P2RX7 (0.51) | P2RX7ALDH1A1SMN1; SMN2KDM1AKMT2A | |
| SCHEMBL22213798 | 0.80 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A | |
| SCHEMBL18914183 | 0.80 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A | |
| SCHEMBL24333211 | 0.80 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A | |
| SCHEMBL18913827 | 0.80 | P2RX7 (0.51) | P2RX7ALDH1A1SMN1; SMN2KDM1AKMT2A | |
| SCHEMBL24333461 | 0.80 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A | |
| SCHEMBL18913907 | 0.80 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A | |
| SCHEMBL24005505 | 0.79 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2KDM1AKMT2ANPSR1 |
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-3380469-B1 | BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF | CONVERGENE LLC (US) | 2022-03-16 | — | — | EP | disclosed |