Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | POLQ | O75417 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PYGL | P06737 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11603191 | 0.83 | RAB9A (0.40) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL10039365 | 0.82 | NOTUM (0.43) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL11603419 | 0.81 | TSHR (0.50) | HTTTP53LMNACYP3A4TSHR | |
| SCHEMBL6388403 | 0.79 | IDO1 (0.42) | P2RX7PDE2AHCAR1 | |
| SCHEMBL27851290 | 0.79 | P2RX7 (0.54) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL7718011 | 0.79 | HTT (0.58) | RAB9ACYP1A2CYP2D6CYP2C19HTT | |
| SCHEMBL14992787 | 0.79 | HTT (0.58) | RAB9ACYP1A2CYP2D6CYP2C19HTT | |
| SCHEMBL20072255 | 0.79 | HTT (0.40) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL14661510 | 0.78 | RAB9A (0.44) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL22163793 | 0.78 | KDM1A (0.42) | P2RX7PDE2AHCAR1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5600036-A | 2-trifluoromethyl-4-chlorobenzalchloride and 2-methyl-3-nitro-5-chlorobenzotrifluoride useful as intermediates for preparing 2-methyl-3-aminobenzotrifluoride | CENTRAL GLASS COMPANY, LIMITED (JP) | 1997-02-04 | — | — | US | claimed |
| CN-111348996-B | 2-benzoyl malonate compound, and preparation method and application thereof | 江苏联化科技有限公司 | 2023-09-08 | — | — | CN | disclosed |
| WO-2020132792-A1 | 2-BENZOYL MALONATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏联化科技有限公司 | 2020-07-02 | — | — | WO | disclosed |
| WO-2020132792-A1 | 2-BENZOYL MALONATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏联化科技有限公司 | 2020-07-02 | — | — | WO | disclosed |
| CN-111348996-A | 2-benzoyl malonate compound, preparation method and application thereof | 江苏联化科技有限公司 | 2020-06-30 | — | — | CN | disclosed |
| CN-108911989-A | A kind of synthetic method of 2- methyl-3-trifluoromethyl phenylamine | 济南悟通生物科技有限公司 | 2018-11-30 | — | — | CN | disclosed |
| JP-2001097937-A | METHOD FOR PRODUCING 4-FLUORO-2- TRIFLUOROMETHYLBENZONITRILE | CENTRAL GLASS CO LTD | 2001-04-10 | — | — | JP | disclosed |
| US-5600036-A | 2-trifluoromethyl-4-chlorobenzalchloride and 2-methyl-3-nitro-5-chlorobenzotrifluoride useful as intermediates for preparing 2-methyl-3-aminobenzotrifluoride | CENTRAL GLASS COMPANY, LIMITED (JP) | 1997-02-04 | — | — | US | disclosed |
| US-5600036-A | 2-trifluoromethyl-4-chlorobenzalchloride and 2-methyl-3-nitro-5-chlorobenzotrifluoride useful as intermediates for preparing 2-methyl-3-aminobenzotrifluoride | CENTRAL GLASS COMPANY, LIMITED (JP) | 1997-02-04 | — | — | US | disclosed |
| US-5600036-A | 2-trifluoromethyl-4-chlorobenzalchloride and 2-methyl-3-nitro-5-chlorobenzotrifluoride useful as intermediates for preparing 2-methyl-3-aminobenzotrifluoride | CENTRAL GLASS COMPANY, LIMITED (JP) | 1997-02-04 | — | — | US | disclosed |
| US-5449831-A | Process of preparing 2-methyl-3-aminobenzotrifluoride | CENTRAL GLASS COMPANY, LIMITED (JP) | 1995-09-12 | — | — | US | disclosed |