Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 2/20 | 0.44 |
| ▸ | KMO | O15229 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15999885 | 0.82 | CA12 (0.46) | CA12CA1CA2CA6CA9 | |
| SCHEMBL14970703 | 0.82 | CA12 (0.46) | CA12CA1CA2CA6CA9 | |
| SCHEMBL6684 | 0.79 | TTR (0.59) | CA12CA1CA2CA6CA9 | |
| SCHEMBL29380260 | 0.79 | TTR (0.59) | CA12CA1CA2CA6CA9 | |
| SCHEMBL8000294 | 0.78 | TTR (0.44) | CA12CA1CA2CA6CA9 | |
| SCHEMBL28159303 | 0.77 | TTR (0.57) | CA12CA1CA2CA6CA9 | |
| SCHEMBL29658033 | 0.74 | MGLL (0.62) | CA1CA2CA6KMO | |
| SCHEMBL244920 | 0.74 | TRPV6 (0.50) | CA1CA2CA6CYP1A2HPGD | |
| Benzene SCHEMBL28042387 | 0.74 | TRPV6 (0.50) | CA1CA2CA6CYP1A2HPGD | |
| SCHEMBL17667917 | 0.73 | ENPP2 (0.59) | CA12CA1CA2CA6CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102724975-B | IRE-1 alpha inhibitors | MANNKIND CORP. (US) | 2015-12-02 | — | — | CN | disclosed |