Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16145882 | 0.82 | ACHE (0.50) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL7897305 | 0.81 | ACHE (0.46) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL21671768 | 0.79 | TSHR (0.50) | ACHEALDH1A1 | |
| SCHEMBL16145641 | 0.78 | ACHE (0.53) | ACHEEPHX1 | |
| SCHEMBL30059386 | 0.77 | ACHE (0.49) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL16145948 | 0.76 | ACHE (0.47) | ACHEEPHX1 | |
| SCHEMBL15570986 | 0.75 | ACHE (0.50) | ACHEEPHX1 | |
| SCHEMBL28230284 | 0.75 | ACHE (0.50) | ACHEEPHX1 | |
| SCHEMBL13387497 | 0.74 | ACHE (0.49) | ACHEEPHX1 | |
| SCHEMBL988903 | 0.73 | ACHE (0.60) | ACHEEPHX1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11343276-A | — | — | None | — | — | JP | disclosed |
| US-6204409-B1 | RAW MATERIAL FOR BLOCK ISOCYANATE, DIISOCYANATE, DEVELOPING AGENT FOR THERMOSENSIBLE PAPER, POWDER PAINT AND THE LIKE | MITSUI CHEMICALS, INC. (JP) | 2001-03-20 | — | — | US | disclosed |
| EP-0990644-A1 | NOVEL URETHANE COMPOUNDS AND PROCESS FOR PRODUCING POLYCYCLIC ALIPHATIC DIISOCYANATE | Mitsui Chemicals, Inc. (JP) | 2000-04-05 | — | — | EP | disclosed |
| JP-H11343276-A | NEW URETHANE COMPOUND AND PRODUCTION OF MULTIFUNCTIONAL ALIPHATIC DIISOCYANATE | MITSUI CHEM INC | 1999-12-14 | — | — | JP | disclosed |