Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 5/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9829166 | 0.93 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1CA12CA1CA2 | |
| SCHEMBL9829521 | 0.87 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL9831033 | 0.85 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9831172 | 0.84 | USP2 (0.46) | ALDH1A1L3MBTL1ACHEBCHEKMT2A | |
| SCHEMBL9829851 | 0.82 | HSD17B10 (0.51) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL9830799 | 0.82 | MEP1B (0.49) | ALDH1A1L3MBTL1ACHEBCHEMEN1 | |
| SCHEMBL9831206 | 0.82 | SMN1; SMN2 (0.46) | ALDH1A1CA1CA2KMT2A | |
| SCHEMBL9831156 | 0.81 | TSHR (0.45) | ALDH1A1KDM4E | |
| SCHEMBL9829350 | 0.81 | ALOX5 (0.50) | ALDH1A1L3MBTL1ACHEBCHEKMT2A | |
| SCHEMBL9830592 | 0.81 | KMT2A (0.44) | ALDH1A1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |