Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2703465 | 0.83 | ALDH1A1 (0.54) | ALDH1A1KMT2ALMNAHTTHPGD | |
| SCHEMBL13233342 | 0.81 | CA1 (0.49) | ALDH1A1HDAC3HDAC1KMT2ALMNA | |
| SCHEMBL21326534 | 0.81 | ALDH1A1 (0.56) | ALDH1A1KMT2ALMNAHTTMAPK1 | |
| SCHEMBL12472110 | 0.81 | CA1 (0.48) | ALDH1A1HDAC3HDAC1KMT2ALMNA | |
| SCHEMBL13900420 | 0.80 | CA1 (0.48) | ALDH1A1KMT2ALMNAHTTMAPK1 | |
| SCHEMBL8290128 | 0.80 | HDAC3 (0.55) | HDAC3HDAC1CA1CA2 | |
| SCHEMBL450618 | 0.80 | CA1 (0.46) | LMNAKDM4ECA1CA2IDO1 | |
| SCHEMBL8692644 | 0.80 | POLB (0.55) | ALDH1A1KMT2AKDM4ECA1CA2 | |
| SCHEMBL6274441 | 0.79 | CA1 (0.58) | ALDH1A1HDAC3HDAC1HTTHPGD | |
| SCHEMBL9524622 | 0.78 | CYP1A2 (0.59) | ALDH1A1KMT2ALMNAHTTHPGD |
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-1761508-A1 | STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS | WISYS TECHNOLOGY FOUNDATION, INC. (US) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006004945-A1 | STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS | WISYS TECHNOLOGY FOUNDATION, INC. (US) | 2006-01-12 | — | — | WO | disclosed |