Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 14/20 | 0.77 |
| ▸ | AGXT | P21549 | 11/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Ethoxyamine SCHEMBL7883410 | 0.88 | IDO1 (0.81) | IDO1AGXTTSHR | |
| SCHEMBL1714959 | 0.88 | AGXT (0.65) | IDO1AGXTCYP3A4 | |
| SCHEMBL7948 | 0.88 | — | — | |
| SCHEMBL20469087 | 0.88 | IDO1 (1.00) | IDO1AGXTTSHRCYP3A4 | |
| Ethylbenzene SCHEMBL6896212 | 0.86 | TP53 (0.70) | IDO1AGXTTP53TSHR | |
| SCHEMBL8863651 | 0.85 | IDO1 (0.94) | IDO1AGXTTSHRCYP3A4 | |
| SCHEMBL8021019 | 0.85 | IDO1 (0.94) | IDO1AGXTTSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL128937 | 0.85 | AGXT (1.00) | IDO1AGXTTSHRCYP3A4 | |
| Bromide SCHEMBL8996427 | 0.85 | IDO1 (0.94) | IDO1AGXTTSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL27822689 | 0.85 | AGXT (1.00) | IDO1AGXTTSHRCYP3A4 |
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 |