Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24852109 | 1.00 | KIF11 (0.42) | KIF11IDO1HTR2AHTR2CHTR2B | |
| SCHEMBL24852110 | 0.88 | IDO1 (0.41) | KIF11IDO1S1PR1GPR84PYCR1 | |
| SCHEMBL23588139 | 0.81 | ACHE (0.42) | KIF11IDO1S1PR1ACHE | |
| SCHEMBL22155162 | 0.81 | IDO1 (0.39) | IDO1HTR2AHTR2CHTR2BS1PR1 | |
| SCHEMBL3517899 | 0.81 | IDO1 (0.39) | KIF11IDO1S1PR1NOTUMGPR84 | |
| SCHEMBL24852184 | 0.80 | KIF11 (0.49) | KIF11IDO1HTR2AHTR2CHTR2B | |
| SCHEMBL29738504 | 0.80 | KIF11 (0.49) | KIF11IDO1HTR2AHTR2CHTR2B | |
| SCHEMBL3311587 | 0.79 | ADRB2 (0.49) | KIF11IDO1S1PR1NOTUMHTR3E | |
| SCHEMBL15814084 | 0.75 | ACHE (0.37) | KIF11ACHE | |
| SCHEMBL29738548 | 0.75 | ACHE (0.37) | KIF11ACHE |
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-115551846-B | 1,4,5, 6-tetrahydropyrimidin-2-amine derivatives | ＵＢＥ株式会社 | 2024-03-08 | — | — | CN | disclosed |
| CN-115551846-A | 1,4,5,6-tetrahydropyrimidin-2-amine derivatives | ＵＢＥ株式会社 | 2022-12-30 | — | — | CN | disclosed |