Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | RAPGEF4 | Q8WZA2 | 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 | |
|---|---|---|---|---|
| SCHEMBL509184 | 0.90 | GABRB3 (0.37) | IDO1GABRB3GABRA2GABRB2PTPN5 | |
| SCHEMBL27751982 | 0.81 | — | — | |
| SCHEMBL4195232 | 0.78 | RAPGEF4 (0.34) | IDO1GABRB3GABRA2GABRB2PTPN5 | |
| SCHEMBL27731409 | 0.78 | LOXL2 (0.30) | — | |
| SCHEMBL28090050 | 0.75 | TAAR1 (0.33) | TAAR1 | |
| SCHEMBL27741441 | 0.75 | TAAR1 (0.36) | TAAR1 | |
| SCHEMBL289403 | 0.74 | — | — | |
| SCHEMBL27752027 | 0.74 | PNMT (0.30) | — | |
| SCHEMBL28776141 | 0.72 | LOX (0.34) | — | |
| SCHEMBL27731414 | 0.72 | CA2 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101448818-A | New heterocyclic compounds for the inhibition of integrins and use thereof | JERINI AG (DE) | 2009-06-03 | — | — | CN | claimed |
| CN-101379056-A | Compounds for the inhibition of integrins and use thereof | JERINI AG (DE) | 2009-03-04 | — | — | CN | claimed |
| CN-101448818-A | New heterocyclic compounds for the inhibition of integrins and use thereof | JERINI AG (DE) | 2009-06-03 | — | — | CN | disclosed |
| CN-101379056-A | Compounds for the inhibition of integrins and use thereof | JERINI AG (DE) | 2009-03-04 | — | — | CN | disclosed |