Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | GNE | Q9Y223 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28037481 | 0.79 | ALDH1A1 (0.58) | TACR1TACR3KMT2AALDH1A1MAPT | |
| SCHEMBL40396 | 0.79 | CASR (0.51) | TACR1TACR3KMT2AALDH1A1MAPT | |
| SCHEMBL29289842 | 0.76 | KDM4E (0.55) | KMT2AMEN1KDM4EALOX15TSHR | |
| SCHEMBL16691265 | 0.73 | PIK3CD (0.43) | TACR1TACR3KMT2AALDH1A1MAPT | |
| SCHEMBL40051 | 0.73 | DRD4 (0.53) | TACR1TACR3KMT2AALDH1A1MAPT | |
| SCHEMBL12505784 | 0.73 | DRD4 (0.50) | TACR1TACR3KMT2AALDH1A1MAPT | |
| SCHEMBL28280909 | 0.72 | ALDH1A1 (0.50) | TACR1TACR3NPSR1KMT2AALDH1A1 | |
| SCHEMBL28628270 | 0.72 | KDM4E (0.59) | KMT2AALDH1A1MAPTMEN1KDM4E | |
| SCHEMBL31679380 | 0.72 | CXCR4 (0.69) | KMT2AALDH1A1MAPTMEN1KDM4E | |
| SCHEMBL465725 | 0.72 | CXCR4 (0.69) | KMT2AALDH1A1MAPTMEN1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105658635-B | Thieno naphthenic base or thieno heterocycle analog derivative, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2019-03-08 | — | — | CN | disclosed |
| WO-2016026372-A1 | THIENOCYCLOALKYL OR THIENOHETEROCYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2016-02-25 | — | — | WO | disclosed |