Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 2/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.47 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.47 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.47 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31566883 | 0.98 | SLC6A1 (0.46) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL1037020 | 0.90 | KMT2A (0.52) | SLC6A1SLC6A11SLC6A13TSHRKMT2A | |
| SCHEMBL380886 | 0.89 | TSHR (0.44) | TSHRHTR4ALOX15 | |
| Hydrochloric Acid SCHEMBL27859719 | 0.88 | KMT2A (0.51) | SLC6A1SLC6A11SLC6A13TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL27418446 | 0.87 | GNAI3 (0.43) | TSHRKMT2AHTR4ALOX15 | |
| Hydrochloric Acid SCHEMBL382045 | 0.87 | GNAI3 (0.43) | TSHRKMT2AHTR4ALOX15 | |
| Acetic Acid SCHEMBL7427847 | 0.84 | HTR4 (0.41) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Hydrochloric Acid SCHEMBL31735305 | 0.83 | TSHR (0.46) | TSHRKMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1410339 | 0.83 | SLC6A1 (0.44) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL12571551 | 0.81 | SLC6A1 (0.60) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103118540-B | Pesticide containing 2, 5-diketopiperazine derivative as active ingredient | Rural Development Office (KR) | 2016-02-17 | — | — | CN | claimed |
| CN-113135924-B | Pyrimidine derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-113135924-A | Pyrimidine derivatives and their use in medicine | 广东东阳光药业有限公司 | 2021-07-20 | — | — | CN | disclosed |
| CN-103118540-B | Pesticide containing 2, 5-diketopiperazine derivative as active ingredient | Rural Development Office (KR) | 2016-02-17 | — | — | CN | disclosed |