Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9163949 | 0.83 | CES1 (0.50) | KMT2AMEN1ALDH1A1TSHRCNR2 | |
| SCHEMBL7441943 | 0.82 | NPSR1 (0.45) | MAPTALDH1A1TSHRCYP3A4NPSR1 | |
| SCHEMBL8462360 | 0.79 | TSHR (0.62) | KMT2AMAPTPOLBMEN1NPC1 | |
| SCHEMBL3348481 | 0.79 | MEN1 (0.59) | KMT2AMAPTPOLBMEN1NPC1 | |
| SCHEMBL21473833 | 0.79 | TSHR (0.62) | KMT2AMAPTPOLBMEN1NPC1 | |
| SCHEMBL343011 | 0.78 | MAPT (0.77) | KMT2AMAPTPOLBMEN1NPC1 | |
| SCHEMBL9503442 | 0.77 | CYP2D6 (0.66) | KMT2AMAPTPOLBMEN1NPC1 | |
| SCHEMBL7038121 | 0.77 | HCAR2 (0.55) | ALDH1A1TSHRCYP2D6CNR2CRHBP | |
| SCHEMBL4776752 | 0.76 | KMT2A (0.56) | KMT2AMAPTPOLBMEN1NPC1 | |
| SCHEMBL28692016 | 0.76 | MEN1 (0.56) | KMT2AMAPTPOLBMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6384265-B1 | ACID CATALYSIS FOR REARRANGEMENT/INVERSION OF STEREOCONFIGURATION; KINETIC RESOLUTION OF RACEMIC MIXTURES USING A CHIRAL CATALYST | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION | 2002-05-07 | — | — | US | disclosed |
| EP-1169291-A1 | METHODS FOR PRODUCING $g(a)-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000056696-A1 | METHODS FOR PRODUCING α-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2000-09-28 | — | — | WO | disclosed |