Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | UNG | P13051 | 1/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31574338 | 0.84 | CA12 (0.44) | CA12CA1CA2CA6CA9 | |
| SCHEMBL11209301 | 0.83 | CA12 (0.53) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL30440153 | 0.82 | CA12 (0.56) | CA12CA1CA2CA6CA9 | |
| SCHEMBL367640 | 0.82 | AKT1 (0.58) | CYP1A2CYP2C9HPGDAKT1HTT | |
| Isophthalic Acid SCHEMBL10982981 | 0.81 | UNG (0.50) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL10982975 | 0.81 | UNG (0.50) | CA12CA1CA2CA6CA9 | |
| SCHEMBL8189830 | 0.80 | AKT1 (0.56) | CYP1A2CYP2C9HPGDAKT1HTT | |
| SCHEMBL7112617 | 0.80 | PBRM1 (0.50) | CA1CA2CA9HPGDHSD17B10 | |
| Isophthalic Acid SCHEMBL2317989 | 0.80 | CA12 (0.58) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL8468108 | 0.80 | CA12 (0.58) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2008100423-A1 | GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2008-08-21 | — | — | WO | disclosed |