Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28888115 | 0.88 | SLC6A1 (0.35) | TSHRMMP1MMP9MMP13KMT2A | |
| SCHEMBL12108456 | 0.85 | TSHR (0.33) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL2916820 | 0.85 | SLC6A1 (0.36) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12524260 | 0.85 | SLC6A1 (0.36) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL1546601 | 0.84 | CHRNB2 (0.39) | CHRNB2CHRNA3CHRNA4MMP1MMP3 | |
| SCHEMBL30275098 | 0.84 | CHRNB2 (0.39) | CHRNB2CHRNA3CHRNA4MMP1MMP3 | |
| SCHEMBL1546602 | 0.84 | CHRNB2 (0.39) | CHRNB2CHRNA3CHRNA4MMP1MMP3 | |
| Hydrochloric Acid SCHEMBL19815935 | 0.83 | SLC6A1 (0.35) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL14754501 | 0.83 | KDM4E (0.38) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL2917733 | 0.83 | KDM4E (0.38) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 |
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-102382065-A | Aniline substituted quinazoline derivative | KBP BIOSCIENCES CO LTD | 2012-03-21 | — | — | CN | disclosed |
| CN-102348706-A | Process for producing pyripyropene derivatives | MEIJI SEIKA KAISHA | 2012-02-08 | — | — | CN | disclosed |
| CN-1026892-C | New amino acid derivatives, process for preparation thereof and pharmaceutical composition comprising same | FUJISAWA PHARMACEUTICAL CO (JP) | 1994-12-07 | — | — | CN | disclosed |
| CN-1007977-B | PROCESS FOR THE PREPARATION OF 7-AMINO-1-CYCLOPXOPYL-6, 8-DIHALOGENO-1, 4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACIDS | BAYER AG (DE) | 1990-05-16 | — | — | CN | disclosed |
| CN-1030411-A | New amino acid derivatives, its preparation method and contain its pharmaceutical composition | FUJISAWA PHARMACEUTICAL CO (JP) | 1989-01-18 | — | — | CN | disclosed |