Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | TSHR | P16473 | 6/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5597611 | 0.99 | TSHR (0.56) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL5597642 | 0.94 | TSHR (0.55) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL5597695 | 0.88 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL8459868 | 0.84 | TSHR (0.73) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL8102937 | 0.82 | TSHR (0.54) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL5597833 | 0.82 | TSHR (0.50) | ALDH1A1TSHRLMNAHSD17B10POLB | |
| SCHEMBL5597923 | 0.81 | TSHR (0.49) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL16044537 | 0.80 | TSHR (0.81) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL5679381 | 0.80 | TSHR (0.73) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL5597674 | 0.79 | HTT (0.43) | ALDH1A1TSHRLMNAMAPK1HSD17B10 |
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-5856560-A | REACTING ACYL CYANIDE BENZENE COMPOUND WITH AN ALCOHOL; THEN AN HYDROXYLAMINE; METHYLATION | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-05 | — | — | US | disclosed |