Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11197258 | 0.90 | IDO1 (0.53) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL5689625 | 0.86 | IDO1 (0.50) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL5848564 | 0.86 | IDO1 (0.57) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2493335 | 0.84 | IDO1 (0.59) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL5689454 | 0.84 | IDO1 (0.55) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL5689461 | 0.84 | CHRM2 (0.59) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL5158268 | 0.77 | ABCB1 (0.51) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL158584 | 0.75 | TAAR1 (0.67) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL29467401 | 0.75 | TAAR1 (0.67) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL27808126 | 0.75 | IDO1 (0.55) | IDO1TAAR1CHRM2CHRM1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1102771-A2 | PREPARATION OF ORGANOLITHIUM AND ORGANOPHOSPHORUS DERIVATIVES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000008030-A2 | PREPARATION OF ORGANOLITHIUM AND ORGANOPHOSPHORUS DERIVATIVES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2000-02-17 | — | — | WO | disclosed |