Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.43 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.43 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27664282 | 1.00 | SLC6A1 (0.43) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL27915636 | 1.00 | SLC6A1 (0.43) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL27568926 | 0.90 | GABRA5 (0.34) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL27694069 | 0.89 | KMT2A (0.37) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Methyl Alcohol SCHEMBL27528171 | 0.89 | GABRA5 (0.33) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Hydrochloric Acid SCHEMBL27691589 | 0.89 | GNAI3 (0.35) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL28664534 | 0.86 | LMNA (0.32) | ATM | |
| SCHEMBL27493732 | 0.81 | THRA (0.39) | ATM | |
| SCHEMBL27759460 | 0.80 | SLC6A1 (0.30) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL27896511 | 0.80 | HTR4 (0.36) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105939998-B | Heteroaryl compound and application thereof as BTK inhibitor | 默克专利有限公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-105916853-B | 2,6- substituted purin derivatives and its purposes in treating proliferative diseases | 辉瑞公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-105939998-A | Heteroaryl compounds as btk inhibitors and uses thereof | 默克专利有限公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-105916853-A | 2,6-substituted purine derivatives and their use in the treatment of proliferative disorders | 辉瑞公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-102746296-B | Oxazolidinone antibiotics | ACTELION PHARMACEUTICALS LTD. (CH) | 2015-10-28 | — | — | CN | disclosed |
| CN-102746297-B | Oxazolidinone antibiotics | ACTELION PHARMACEUTICALS LTD. (CH) | 2015-08-26 | — | — | CN | disclosed |
| CN-104710408-A | Chiral cis-imidazolines | HOFFMANN LA ROCHE | 2015-06-17 | — | — | CN | disclosed |
| CN-104379568-A | Quinazolinedione derivative | CHUGAI PHARMACEUTICAL CO LTD | 2015-02-25 | — | — | CN | disclosed |
| CN-101896483-B | Glucokinase activators and pharmaceutical compositions containing the same as active ingredients | LG LIFE SCIENCES LTD | 2013-11-20 | — | — | CN | disclosed |
| CN-103265477-A | Aminoheteroaryl compounds as protein kinase inhibitors | SUGEN INC | 2013-08-28 | — | — | CN | disclosed |