Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | F13A1 | P00488 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL19542960 | 0.90 | HRH4 (0.36) | HRH4HRH3 | |
| SCHEMBL19542940 | 0.88 | HRH4 (0.34) | HRH4HRH3 | |
| SCHEMBL19546064 | 0.86 | HRH4 (0.33) | HRH4HRH3 | |
| SCHEMBL20118898 | 0.85 | TDP1 (0.32) | CYP2C9TDP1 | |
| SCHEMBL9739467 | 0.85 | TDP1 (0.32) | CYP2C9TDP1 | |
| SCHEMBL20438332 | 0.84 | HRH4 (0.33) | HRH4HRH3 | |
| SCHEMBL20445498 | 0.84 | HRH4 (0.31) | HRH4HRH3 | |
| SCHEMBL20968106 | 0.84 | CA12 (0.43) | PAOXCA12F13A1CA1CA2 | |
| SCHEMBL20968105 | 0.84 | CA12 (0.43) | PAOXCA12F13A1CA1CA2 | |
| SCHEMBL20968107 | 0.84 | CA12 (0.43) | PAOXCA12F13A1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008130721-A1 | PREPARATION OF SECONDARY DIAMINES | ALBEMARLE CORPORATION (US) | 2008-10-30 | — | — | WO | disclosed |
| WO-2008112636-A1 | CHAIN EXTENDERS | ALBEMARLE CORPORATION (US) | 2008-09-18 | — | — | WO | disclosed |