Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | CPA1 | P15085 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1801850 | 0.77 | HDAC8 (0.43) | TSHRUSP2MMP1MMP2MMP3 | |
| SCHEMBL21158803 | 0.77 | USP2 (0.39) | TSHRUSP2MEN1KMT2ACA1 | |
| SCHEMBL13609165 | 0.77 | TSHR (0.54) | ALDH1A1TSHRUSP2MEN1KMT2A | |
| SCHEMBL20715292 | 0.76 | TSHR (0.43) | ALDH1A1TSHRUSP2MEN1KMT2A | |
| SCHEMBL8121888 | 0.72 | USP2 (0.35) | TSHRUSP2 | |
| SCHEMBL13876693 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TSHRUSP2MEN1KMT2A | |
| SCHEMBL13671565 | 0.72 | CA12 (0.37) | ALDH1A1TSHRMEN1KMT2AFAAH | |
| SCHEMBL10031629 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TSHRUSP2MEN1KMT2A | |
| SCHEMBL115663 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TSHRUSP2MEN1KMT2A | |
| SCHEMBL18762848 | 0.71 | USP2 (0.35) | TSHRUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019027960-A1 | PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-02-07 | — | — | WO | disclosed |