Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.30 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3679228 | 0.89 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1MAPTTDP1TSHR | |
| SCHEMBL6994664 | 0.83 | ALDH1A1 (0.41) | ALDH1A1KMT2ACYP1A2PKMMAPT | |
| SCHEMBL4479223 | 0.80 | ALDH1A1 (0.46) | ALDH1A1KMT2ACYP1A2CYP2C19MAPT | |
| SCHEMBL4493705 | 0.80 | ALDH1A1 (0.46) | ALDH1A1KMT2ACYP1A2CYP2C19MAPT | |
| SCHEMBL4422311 | 0.80 | ALDH1A1 (0.42) | ALDH1A1KMT2ACYP1A2PKMMAPT | |
| SCHEMBL1620299 | 0.80 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL6786966 | 0.79 | CA12 (0.31) | CA12CA1CA9 | |
| SCHEMBL6785883 | 0.78 | CA12 (0.36) | CA12CA1CA9 | |
| SCHEMBL6784883 | 0.76 | CYP3A4 (0.33) | CYP3A4MAPTHPGD | |
| SCHEMBL19306468 | 0.76 | SRC (0.46) | ALDH1A1CA12CA1CA9 |
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-6727277-B1 | BENZO(A)XANTHENE DERIVATIVES; LYMPHATIC ABSORPTION INTENSIFIERS 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE INHIBITORS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2004-04-27 | — | — | US | disclosed |