Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MDH1 | P40925 | 1/20 | 0.38 |
| ▸ | MDH2 | P40926 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8174975 | 0.89 | RARB (0.42) | ALDH1A1KDM4ESMN1; SMN2HTTKMT2A | |
| SCHEMBL7661297 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPTKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL7612421 | 0.84 | SMPD1 (0.48) | ALDH1A1 | |
| SCHEMBL7470900 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL8170486 | 0.79 | HPGD (0.50) | ALDH1A1MAPTKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL8169201 | 0.79 | PDE4B (0.47) | ALDH1A1ABCB11 | |
| SCHEMBL20076085 | 0.79 | TTR (0.56) | ALDH1A1MAPTKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL8169435 | 0.78 | PDE4B (0.43) | ALDH1A1KMT2A | |
| SCHEMBL7611997 | 0.76 | CYP1A2 (0.48) | ALDH1A1MAPTKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL30823363 | 0.76 | MAPT (0.46) | ALDH1A1MAPTKDM4EHPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6433199-B1 | ANTITUMOR, ANTICANCER AGENTS | SHIONOGI BIORESEARCH CORPORATION | 2002-08-13 | — | — | US | disclosed |
| US-6137003-A | Bis (haloethyl) aminobenzene derivatives | SHIONOGI BIORESEARCH (US) | 2000-10-24 | — | — | US | disclosed |
| US-5969133-A | Bioreductive cytotoxic agents | SHIONGI BIORESEARCH CORP. (US) | 1999-10-19 | — | — | US | disclosed |