Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4306696 | 0.81 | TSHR (0.34) | HTR2CHTR2BTSHRCHRNB2CHRNB4 | |
| SCHEMBL17141386 | 0.80 | TSHR (0.40) | TAAR1CYP2D6HTR2CHTR2BTSHR | |
| SCHEMBL13027719 | 0.77 | KCNJ1 (0.44) | — | |
| SCHEMBL286934 | 0.77 | KCNJ1 (0.44) | — | |
| SCHEMBL14723162 | 0.77 | AR (0.41) | CYP11B1CYP11B2 | |
| SCHEMBL20819598 | 0.76 | CYP2D6 (0.35) | TAAR1CYP2D6HTR2CHTR2BNOS3 | |
| SCHEMBL20833596 | 0.75 | HTR2C (0.49) | TAAR1CYP2D6HTR2CHTR2BTSHR | |
| SCHEMBL7055104 | 0.75 | HTR2C (0.49) | TAAR1CYP2D6HTR2CHTR2BTSHR | |
| SCHEMBL17865235 | 0.72 | BRD4 (0.38) | CYP2D6BRD4HTR2CHTR2BCHRNB2 | |
| SCHEMBL10779356 | 0.71 | HTR2C (0.49) | TAAR1CYP2D6HTR2CHTR2BTSHR |
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-3997096-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2022-05-18 | — | — | EP | disclosed |