Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.37 |
| ▸ | JMJD6 | Q6NYC1 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23777030 | 0.89 | CHRM4 (0.39) | CHRM4TP53ALDH1A1TSHRGAA | |
| SCHEMBL23756010 | 0.86 | HPGD (0.49) | CHRM4TP53ALDH1A1TSHRGAA | |
| SCHEMBL29941862 | 0.86 | HPGD (0.49) | CHRM4TP53ALDH1A1TSHRGAA | |
| Bicarbonate SCHEMBL30122459 | 0.83 | HPGD (0.46) | CHRM4TP53ALDH1A1TSHRGAA | |
| SCHEMBL25509049 | 0.82 | TP53 (0.41) | TP53ALDH1A1NOS1NOS2KDM4E | |
| SCHEMBL30220538 | 0.81 | DHODH (0.40) | CHRM4ALDH1A1TSHRGAAHTT | |
| SCHEMBL23777039 | 0.78 | KDM2B (0.39) | CHRM4ALDH1A1HSD17B10KDM2BKDM4E | |
| SCHEMBL26660759 | 0.77 | TBXAS1 (0.50) | ALDH1A1HTTKDM4ESMN1; SMN2 | |
| SCHEMBL23777120 | 0.77 | KDM2B (0.36) | CHRM4KDM2B | |
| SCHEMBL25508500 | 0.76 | TP53 (0.37) | TP53ALDH1A1TSHRKDM4ECRHBP |
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-2021163254-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-19 | — | — | WO | disclosed |