Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7619366 | 0.81 | ALDH1A1 (0.39) | CYP1A2ALDH1A1TSHRPOLBNPC1 | |
| SCHEMBL6926049 | 0.78 | HSD17B10 (0.57) | CYP1A2ALDH1A1TSHRPOLBNPC1 | |
| SCHEMBL6441520 | 0.78 | DAO (0.49) | ALDH1A1TSHRPOLBNPC1RAB9A | |
| SCHEMBL6829041 | 0.77 | SMN1; SMN2 (0.41) | ALDH1A1TSHRPOLBNPC1RAB9A | |
| SCHEMBL6826153 | 0.75 | ALDH1A1 (0.44) | CYP1A2ALDH1A1TSHRPOLBNPC1 | |
| SCHEMBL278333 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TSHRPOLBNPC1RAB9A | |
| SCHEMBL6923684 | 0.72 | ALDH1A1 (0.44) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6829332 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TSHRPOLBNPC1RAB9A | |
| SCHEMBL6829615 | 0.71 | ALDH1A1 (0.50) | CYP1A2ALDH1A1TSHRPOLBNPC1 | |
| SCHEMBL6831252 | 0.71 | ALDH1A1 (0.46) | CYP1A2ALDH1A1TSHRPOLBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004037808-A1 | 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2004-05-06 | — | — | WO | disclosed |