Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL6566918 | 0.89 | ALDH1A1 (0.56) | ALDH1A1CYP2A6KDM4EMEN1KMT2A | |
| SCHEMBL9005 | 0.83 | MEN1 (0.57) | ALDH1A1CYP2A6MEN1KMT2ARXRA | |
| SCHEMBL35849993 | 0.83 | MEN1 (0.57) | ALDH1A1CYP2A6MEN1KMT2ARXRA | |
| SCHEMBL11132298 | 0.81 | MEN1 (0.55) | ALDH1A1CYP2A6MEN1KMT2ARXRA | |
| SCHEMBL3107253 | 0.81 | MEN1 (0.55) | ALDH1A1CYP2A6MEN1KMT2ARXRA | |
| SCHEMBL3109583 | 0.81 | MEN1 (0.55) | ALDH1A1CYP2A6MEN1KMT2ARXRA | |
| SCHEMBL31323327 | 0.81 | MEN1 (0.55) | ALDH1A1CYP2A6MEN1KMT2ARXRA | |
| Hydrochloric Acid SCHEMBL10384676 | 0.81 | MEN1 (0.55) | ALDH1A1CYP2A6MEN1KMT2ARXRA | |
| SCHEMBL3115624 | 0.81 | MEN1 (0.55) | ALDH1A1CYP2A6MEN1KMT2ARXRA | |
| Hydrochloric Acid SCHEMBL31671086 | 0.81 | MEN1 (0.55) | ALDH1A1CYP2A6MEN1KMT2ARXRA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000032-B1 | DI- AND TRI-SUBSTITUTED THIAZOLES, THEIR PREPARATION, THEIR USE IN PHARMACEUTICALS AND INTERMEDIATE COMPOUNDS | MERCK & CO. INC. (US) | 1982-05-19 | — | — | EP | disclosed |
| US-4260609-A | Di- and tri- substituted thiazoles | MERCK & CO., INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4259341-A | Di- and tri-substituted thiazoles | MERCK & CO., INC. (US) | 1981-03-31 | — | — | US | disclosed |
| US-4169835-A | 2-AMINO PROPANOL ISOTHIOZOL-3-ONES | MERCK & CO., INC. (US) | 1979-10-02 | — | — | US | disclosed |
| EP-0000032-A1 | Di- and tri-substituted thiazoles, their preparation, their use in pharmaceuticals and intermediate compounds | MERCK & CO. INC. (US) | 1978-12-20 | — | — | EP | disclosed |
| US-4119718-A | 3-Amino-2-oxy-propoxy-substituted isothiazoles | MERCK & CO., INC. (US) | 1978-10-10 | — | — | US | disclosed |