Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10411944 | 0.81 | TSHR (0.57) | TSHRALDH1A1ALOX15LMNASMN1; SMN2 | |
| SCHEMBL110476 | 0.81 | TSHR (0.57) | TSHRALDH1A1ALOX15LMNASMN1; SMN2 | |
| SCHEMBL30294872 | 0.81 | TSHR (0.57) | TSHRALDH1A1ALOX15LMNASMN1; SMN2 | |
| SCHEMBL5666504 | 0.80 | ALDH1A1 (0.46) | TSHRALDH1A1ALOX15LMNASMN1; SMN2 | |
| Benzene SCHEMBL29290216 | 0.79 | ALDH1A1 (0.56) | TSHRALDH1A1ALOX15LMNASMN1; SMN2 | |
| SCHEMBL688471 | 0.79 | ALDH1A1 (0.56) | TSHRALDH1A1ALOX15LMNASMN1; SMN2 | |
| SCHEMBL29628477 | 0.79 | PDK1 (0.45) | TSHRALDH1A1ALOX15LMNAHPGD | |
| SCHEMBL1614730 | 0.79 | TSHR (0.77) | TSHRALDH1A1ALOX15LMNASMN1; SMN2 | |
| SCHEMBL38733 | 0.78 | ALDH1A1 (0.44) | TSHRALDH1A1ALOX15LMNASMN1; SMN2 | |
| SCHEMBL2200319 | 0.78 | ALDH1A1 (0.44) | TSHRALDH1A1ALOX15SMN1; SMN2HPGD |
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-109843873-A | Alkynes is for heterocyclic compound, preparation method and its in application pharmaceutically | 北京诺诚健华医药科技有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-104854087-B | Indole carboxamide derivatives as P2X receptor antagonists | 埃科特莱茵药品有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-104812749-B | Indolecarboxamide derivant as P2X7 receptor antagonist | 埃科特莱茵药品有限公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-104854087-A | As P2X7Indole carboxamide derivatives of receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-08-19 | — | — | CN | disclosed |
| CN-104812749-A | Iindole carboxamide derivatives as p2x7 receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-07-29 | — | — | CN | disclosed |