Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9995371 | 0.78 | NPC1 (0.40) | NPC1RAB9APKMMITFCDK5 | |
| SCHEMBL23422080 | 0.76 | F7 (0.46) | NPC1RAB9AKMT2AMAPTCYP3A4 | |
| SCHEMBL20995693 | 0.75 | AKR1C1 (0.43) | NPC1RAB9APKMMITFCDK5 | |
| SCHEMBL7149428 | 0.70 | CES1 (0.41) | NPC1RAB9APKMKMT2ACYP2C19 | |
| SCHEMBL94199 | 0.70 | ALDH1A1 (0.42) | NPC1RAB9APKMKMT2ACYP2C19 | |
| SCHEMBL94197 | 0.70 | ALDH1A1 (0.42) | NPC1RAB9APKMKMT2ACYP2C19 | |
| SCHEMBL517736 | 0.69 | TSHR (0.52) | PKMKMT2ACYP2C19MAPTCYP3A4 | |
| SCHEMBL1628733 | 0.69 | TDP1 (0.52) | PKMKMT2ACYP2C19MAPTCYP3A4 | |
| SCHEMBL517738 | 0.69 | TSHR (0.52) | PKMKMT2ACYP2C19MAPTCYP3A4 | |
| SCHEMBL8679701 | 0.69 | TDP1 (0.52) | PKMKMT2ACYP2C19MAPTCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3833659-A1 | PROCESS FOR MANUFACTURE OF (S)-N-(3-((2-((4-((1-ACETYLPYRROLIDIN-3-YL)(METHYL)AMINO)PHENYL)AMINO)-5-METHOXYPYRIMIDIN-4-YL)OXY) PHENYL)ACRYLAMIDE, AND FORMULATIONS THEREOF | ACEA Therapeutics, Inc. (US) | 2021-06-16 | — | — | EP | disclosed |
| WO-2020029156-A1 | PROCESS FOR MANUFACTURE OF (S)-N-(3-((2-((4-((1-ACETYLPYRROLIDIN-3-YL)(METHYL)AMINO)PHENYL)AMINO)-5-METHOXYPYRIMIDIN-4-YL)OXY) PHENYL)ACRYLAMIDE, AND FORMULATIONS THEREOF | ACEA Therapeutics, Inc. (US) | 2020-02-13 | — | — | WO | disclosed |