Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL24571490 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CHRNB2CHRNB4CHRNA4TAS1R3 | |
| SCHEMBL12207151 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA4TAS1R3 | |
| SCHEMBL2625556 | 0.78 | — | — | |
| SCHEMBL24567750 | 0.77 | POLB (0.37) | ALDH1A1TAS1R3TAS1R1TAS1R2POLB | |
| SCHEMBL4579056 | 0.76 | — | — | |
| SCHEMBL14277245 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA4TAS1R3 | |
| Hydrochloric Acid SCHEMBL23833991 | 0.73 | ALDH1A1 (0.39) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL16225026 | 0.73 | ALDH1A1 (0.39) | ALDH1A1CHRNB2CHRNB4CHRNA4ACACB | |
| SCHEMBL12207194 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CHRNB2CHRNB4CHRNA4POLB | |
| SCHEMBL754184 | 0.73 | ALDH1A1 (0.43) | ALDH1A1POLBTSHRMAPK1GAA |
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-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |