Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15635726 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL19618993 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL9258822 | 0.80 | TDP1 (0.55) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL5350000 | 0.79 | ATM (0.44) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL10811200 | 0.78 | ALDH1A1 (0.49) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL27775170 | 0.77 | LMNA (0.46) | ALDH1A1KMT2AMAPK1TDP1SLC6A2 | |
| SCHEMBL8436634 | 0.76 | ALDH1A1 (0.60) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL14744437 | 0.76 | ALDH1A1 (0.60) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL15440454 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KMT2AL3MBTL1TDP1LMNA | |
| SCHEMBL8954882 | 0.75 | ALDH1A1 (0.58) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 |
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-5273989-A | 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |