Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| SCHEMBL7909635 | 0.83 | ALDH1A1 (0.53) | ALDH1A1HSD17B10RAB9AHTTNPC1 | |
| SCHEMBL21891772 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HSD17B10RAB9AHTTNPC1 | |
| SCHEMBL8392199 | 0.78 | ALDH1A1 (0.69) | ALDH1A1HSD17B10RAB9AHTTNPC1 | |
| SCHEMBL21891967 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HSD17B10RAB9AHTTNPC1 | |
| SCHEMBL25488384 | 0.76 | ALDH1A1 (0.63) | ALDH1A1HSD17B10RAB9AHTTNPC1 | |
| SCHEMBL8393242 | 0.75 | ALDH1A1 (0.66) | ALDH1A1HSD17B10RAB9AHTTNPC1 | |
| SCHEMBL8396460 | 0.75 | ALDH1A1 (0.66) | ALDH1A1HSD17B10RAB9AHTTNPC1 | |
| SCHEMBL5537325 | 0.75 | ALDH1A1 (0.55) | ALDH1A1HSD17B10RAB9AHTTNPC1 | |
| SCHEMBL8392988 | 0.74 | ALDH1A1 (0.64) | ALDH1A1RAB9AHTTNPC1FAAH | |
| SCHEMBL30407592 | 0.74 | ALDH1A1 (0.60) | ALDH1A1HSD17B10RAB9AHTTNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |