Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TOP2A | P11388 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9830404 | 0.88 | MAPT (0.56) | NLRP3GAATOP2AHTTALDH1A1 | |
| SCHEMBL9830020 | 0.83 | TOP2A (0.61) | NLRP3TOP2AALDH1A1HSD17B10USP2 | |
| SCHEMBL8115145 | 0.81 | TOP2A (0.53) | NLRP3GAACYP3A4CYP2D6TOP2A | |
| SCHEMBL1491077 | 0.81 | NLRP3 (0.70) | NLRP3GAACYP3A4CYP2D6HTT | |
| SCHEMBL9829781 | 0.79 | TOP2A (0.51) | NLRP3TOP2AHTTALDH1A1MAPT | |
| SCHEMBL9832916 | 0.79 | TOP2A (0.48) | NLRP3TOP2AHTTALDH1A1MAPT | |
| SCHEMBL9829339 | 0.79 | MAPT (0.51) | NLRP3GAATOP2AHTTALDH1A1 | |
| SCHEMBL13737098 | 0.79 | HDAC3 (0.48) | NLRP3GAACYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL9831014 | 0.79 | TOP2A (0.53) | NLRP3GAATOP2AHTTALDH1A1 | |
| SCHEMBL9832645 | 0.79 | GAA (0.56) | GAATOP2AHTTALDH1A1KMT2A |
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-0449989-A1 | 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES | Sloan-Kettering Institute For Cancer Research (US) | 1991-10-09 | — | — | EP | disclosed |
| WO-1990007496-A1 | 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-07-12 | — | — | WO | disclosed |
| US-4925939-A | 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-05-15 | — | — | US | disclosed |