Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28045659 | 0.87 | SPR (0.53) | RAB9AMTNR1AMTNR1BCYP1A2CYP3A4 | |
| SCHEMBL6097905 | 0.85 | MT-CO2 (0.59) | RAB9AKMT2ANPC1LMNAKDM4E | |
| SCHEMBL5750887 | 0.75 | BACE1 (0.63) | RAB9AKMT2ANPC1LMNAKDM4E | |
| SCHEMBL6098448 | 0.75 | KDM4E (0.67) | RAB9AKMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5189053 | 0.72 | ALDH1A1 (0.62) | RAB9AKMT2ANPC1LMNAKDM4E | |
| SCHEMBL17554025 | 0.72 | KCNH2 (0.62) | RAB9AKMT2ANPC1ITGA4ITGB7 | |
| SCHEMBL28045735 | 0.70 | MEN1 (0.69) | RAB9AKMT2ANPC1 | |
| SCHEMBL29490827 | 0.70 | MT-CO2 (0.59) | RAB9ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL22745917 | 0.70 | MT-CO2 (0.59) | RAB9ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1826506 | 0.70 | TAAR1 (0.54) | KMT2ACYP1A2LMNAKDM4ESMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105198786-B | Amides compound of aryl substitution and preparation method thereof, the pharmaceutical composition comprising it and its application | 中国医学科学院医药生物技术研究所 | 2018-06-29 | — | — | CN | claimed |
| CN-105198786-A | Aryl-substituted amide compound, preparing method thereof, medicine composition comprising same, and application thereof | INST MED BIOTECHNOLOGY CAMS | 2015-12-30 | — | — | CN | claimed |
| CN-105198786-B | Amides compound of aryl substitution and preparation method thereof, the pharmaceutical composition comprising it and its application | 中国医学科学院医药生物技术研究所 | 2018-06-29 | — | — | CN | disclosed |
| CN-105198786-A | Aryl-substituted amide compound, preparing method thereof, medicine composition comprising same, and application thereof | INST MED BIOTECHNOLOGY CAMS | 2015-12-30 | — | — | CN | disclosed |