Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 11/20 | 0.49 |
| ▸ | CA1 | P00915 | 10/20 | 0.49 |
| ▸ | CA12 | O43570 | 6/20 | 0.49 |
| ▸ | CA9 | Q16790 | 6/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22501690 | 0.86 | ALDH1A1 (0.57) | ALDH1A1PKMCA4CA2CA1 | |
| SCHEMBL14289811 | 0.85 | CA2 (0.53) | ALDH1A1PKMCA4CA2CA1 | |
| SCHEMBL15880753 | 0.85 | CA2 (0.52) | ALDH1A1PKMCA4CA2CA1 | |
| SCHEMBL29675754 | 0.84 | KMT2A (0.49) | ALDH1A1FBP1 | |
| SCHEMBL1899410 | 0.81 | NPSR1 (0.57) | ALDH1A1PKM | |
| SCHEMBL396034 | 0.81 | ALDH1A1 (0.49) | ALDH1A1PKMCA4CA2CA1 | |
| SCHEMBL29726453 | 0.80 | CA2 (0.58) | ALDH1A1PKMCA4CA2CA1 | |
| SCHEMBL8252977 | 0.80 | CA2 (0.58) | ALDH1A1PKMCA4CA2CA1 | |
| SCHEMBL8339534 | 0.80 | CA2 (0.55) | ALDH1A1PKMCA4CA2CA1 | |
| SCHEMBL635110 | 0.80 | CA1 (0.69) | ALDH1A1CA2CA1CA12CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3807274-B1 | 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER | LEAD DISCOVERY CENTER GMBH (DE) | 2022-07-27 | — | — | EP | disclosed |
| WO-2020039060-A1 | 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER | LEAD DISCOVERY CENTER GMBH (DE) | 2020-02-27 | — | — | WO | disclosed |
| EP-3613738-A1 | 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER | Lead Discovery Center GmbH (DE) | 2020-02-26 | — | — | EP | disclosed |