Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 4/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22711426 | 1.00 | CYP2A13 (0.46) | CYP2A13HCRTR1HCRTR2HTTKDM4E | |
| SCHEMBL22711462 | 0.85 | SMN1; SMN2 (0.49) | HTTKDM4ESMN1; SMN2TSHRMAPK1 | |
| SCHEMBL22711503 | 0.84 | MRGPRX4 (0.46) | HTTKDM4ESMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL22711405 | 0.80 | KDM4E (0.42) | KDM4EMAPTNPSR1SMN1; SMN2TSHR | |
| SCHEMBL22711413 | 0.80 | EPHX2 (0.46) | HTTKDM4ENPSR1MMP1MMP9 | |
| SCHEMBL22711416 | 0.75 | HRH3 (0.52) | — | |
| SCHEMBL6590035 | 0.74 | HCRTR1 (0.54) | CYP2A13HCRTR1HCRTR2KDM4EMAPT | |
| SCHEMBL22711386 | 0.73 | HTT (0.44) | HTTKDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL3829188 | 0.73 | KMT2A (0.52) | HCRTR1HCRTR2KDM4ESMN1; SMN2TSHR | |
| SCHEMBL5216465 | 0.72 | HCRTR1 (0.60) | CYP2A13HCRTR1HCRTR2MMP1MMP9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111655685-B | Thiophene derivative and use thereof | 藤本株式会社 | 2023-11-17 | — | — | CN | disclosed |