Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NOS1 | P29475 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL464607 | 0.84 | — | — | |
| Bromide SCHEMBL920886 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28775434 | 0.81 | CYP1A2 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19LOXL2 | |
| Aminothiazole SCHEMBL7401 | 0.73 | — | — | |
| Aminothiazole SCHEMBL1136755 | 0.73 | — | — | |
| Aminothiazole SCHEMBL10428703 | 0.73 | — | — | |
| Aminothiazole SCHEMBL4962431 | 0.73 | ALDH1A1 (1.00) | ALDH1A1TSHRNOS1HSD17B10CYP2C9 | |
| SCHEMBL3536369 | 0.72 | — | — | |
| Aminothiazole SCHEMBL7473421 | 0.71 | — | — | |
| Aminothiazole SCHEMBL5781624 | 0.71 | — | — |
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-6403803-B1 | REMOVING AMMONIA FROM REACTION MIXTURE, MIXING WITH WATER AND INORGANIC ACID TO PRECIPITATE BIS(2-CHLOROTHIAZOLYL-5-METHYL)AMINE SALT, LEAVING 5-AMINOMETHYL-2-CHLOROTHIAZOLE SALT IN SOLUTION, SEPARATING | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-11 | — | — | US | claimed |