Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 6/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL27872007 | 1.00 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| O-Xylene SCHEMBL27872009 | 1.00 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| O-Xylene SCHEMBL27872003 | 1.00 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| O-Xylene SCHEMBL27872004 | 0.94 | ALDH1A1 (0.53) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL28764612 | 0.85 | EPHX1 (0.68) | TSHREPHX1ACHE | |
| SCHEMBL28848111 | 0.85 | EPHX1 (0.68) | TSHREPHX1ACHE | |
| SCHEMBL723173 | 0.85 | EPHX1 (0.68) | TSHREPHX1ACHE | |
| SCHEMBL721745 | 0.85 | EPHX1 (0.68) | TSHREPHX1ACHE | |
| SCHEMBL10878591 | 0.85 | EPHX1 (0.68) | TSHREPHX1ACHE | |
| SCHEMBL18641585 | 0.85 | EPHX1 (0.68) | TSHREPHX1ACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471244-B | Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound | ASAHI CHEMICAL CORP | 2014-09-24 | — | — | CN | disclosed |
| CN-103588680-A | Composition for transfer and storage of N-substituted carbamic acid ester and isocyanate production method | ASAHI KASEI CHEMICALS CORP | 2014-02-19 | — | — | CN | disclosed |
| CN-103553972-A | Method for the preparation of n-substituted carbamic acid ester and method for the preparation of isocyanate using the n-substituted carbamic acid ester | ASAHI KASEI CHEMICALS CORP | 2014-02-05 | — | — | CN | disclosed |
| CN-103097348-A | Process for producing carbonyl compounds | ASAHI KASEI CHEMICALS CORP (JP) | 2013-05-08 | — | — | CN | disclosed |
| CN-102471244-A | Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound | ASAHI KASEI CHEMICALS CORP (JP) | 2012-05-23 | — | — | CN | disclosed |