Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30221438 | 0.84 | ALDH1A1 (0.51) | ALDH1A1TDP1TSHRHTTTP53 | |
| SCHEMBL24900387 | 0.84 | ALDH1A1 (0.51) | ALDH1A1TDP1TSHRHTTTP53 | |
| SCHEMBL3054692 | 0.84 | ALDH1A1 (0.51) | ALDH1A1TDP1TSHRCYP3A4HTT | |
| SCHEMBL28462224 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TSHRHTTTP53CHRNB2 | |
| SCHEMBL3057834 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HTTTP53CHRNB2 | |
| SCHEMBL24900389 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRHTTTP53 | |
| SCHEMBL18030205 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP3A4HTT | |
| SCHEMBL4749290 | 0.82 | ERN1 (0.50) | ALDH1A1TDP1HTTTP53CHRNB2 | |
| SCHEMBL24900594 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRHTTTP53 | |
| SCHEMBL4749269 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HTTTP53CHRNB2CHRNA4 |
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-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |
| WO-2019238067-A1 | PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2019-12-19 | — | — | WO | disclosed |