Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 10/20 | 0.49 |
| ▸ | NPC1 | O15118 | 9/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | STAT1 | P42224 | 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 SCHEMBL27872109 | 0.94 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| O-Xylene SCHEMBL27872009 | 0.94 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| O-Xylene SCHEMBL27872007 | 0.94 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| O-Xylene SCHEMBL27872003 | 0.94 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| SCHEMBL283132 | 0.84 | — | — | |
| Hydrazine SCHEMBL28106872 | 0.82 | EPHX1 (0.53) | ALDH1A1TSHRSMN1; SMN2RAB9ANPC1 | |
| Acetic Acid Butyl Ester SCHEMBL6809657 | 0.80 | ALDH1A1 (0.67) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| Acetic Acid Butyl Ester SCHEMBL30919973 | 0.80 | ALDH1A1 (0.67) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| SCHEMBL13506223 | 0.79 | SMN1; SMN2 (0.68) | ALDH1A1L3MBTL1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL722043 | 0.79 | EPHX1 (0.64) | — |
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 |