Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL196117 | 0.96 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1 | |
| Fluoride SCHEMBL15367056 | 0.92 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1 | |
| SCHEMBL2078957 | 0.92 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1 | |
| SCHEMBL9387756 | 0.92 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1 | |
| SCHEMBL7145095 | 0.92 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1 | |
| Lithium Ion SCHEMBL8992466 | 0.88 | TSHR (0.31) | ALDH1A1TSHRTDP1 | |
| SCHEMBL27790915 | 0.77 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL2912820 | 0.77 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL5597696 | 0.72 | TSHR (0.41) | TSHRTDP1 | |
| SCHEMBL12675478 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901996-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES | MITSUI CHEMICALS INC (JP) | 2006-02-01 | — | — | EP | disclosed |
| US-6222072-B1 | RACTING IMINE WITH HYDRIDE REAGENT IN PRESENCE OF OPTICALLY ACTIVE METAL COMPOUND, WHEREIN HYDRIDE REAGENT IS A METAL HYDRIDE, REAGENT THAT UNDERGOES METAL EXCHANGE, METAL TRIALKOXY HYDRIDE COMPLEX OR METAL(TRICARBOXYLIC ACID)HYDRIDE | MITSUI CHEMICALS INC. (JP) | 2001-04-24 | — | — | US | disclosed |
| EP-0901996-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES | Mitsui Chemicals, Inc. (JP) | 1999-03-17 | — | — | EP | disclosed |