Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | TSHR | P16473 | 6/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | KDM4A | O75164 | 1/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 3/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8643540 | 0.95 | TSHR (0.59) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL27739480 | 0.93 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL29010553 | 0.93 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL30357954 | 0.93 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL10387424 | 0.91 | ALDH1A1 (0.58) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| Anthracene SCHEMBL27589357 | 0.91 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL10387044 | 0.90 | TSHR (0.57) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL561204 | 0.88 | TSHR (0.64) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL27930000 | 0.85 | TSHR (0.56) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| Phenanthrene SCHEMBL27902537 | 0.85 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNAMAPK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101272849-A | Novel agrochemical formulations | BASF SE (DE) | 2008-09-24 | — | — | CN | disclosed |