Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29833175 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4EVCAM1HCAR3LMNA | |
| SCHEMBL15616427 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KDM4EVCAM1HCAR3MAPT | |
| SCHEMBL18228017 | 0.81 | ALDH1A1 (0.46) | ALDH1A1KDM4EVCAM1HCAR3LMNA | |
| SCHEMBL34467410 | 0.80 | HCAR3 (0.47) | ALDH1A1KDM4EVCAM1HCAR3LMNA | |
| SCHEMBL21590304 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KDM4EVCAM1HCAR3LMNA | |
| SCHEMBL15111028 | 0.79 | ALDH1A1 (0.38) | ALDH1A1KDM4EVCAM1HCAR3LMNA | |
| SCHEMBL18508188 | 0.78 | HCAR3 (0.39) | ALDH1A1KDM4EVCAM1HCAR3LMNA | |
| SCHEMBL18508297 | 0.78 | HCAR3 (0.39) | ALDH1A1KDM4EVCAM1HCAR3LMNA | |
| SCHEMBL1844442 | 0.77 | MAPT (0.47) | ALDH1A1KDM4EHCAR3LMNAMAPT | |
| SCHEMBL6541812 | 0.76 | KMT2A (0.46) | ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2 |
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 |