Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UNG | P13051 | 1/20 | 0.50 |
| ▸ | 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 |
| ▸ | KMO | O15229 | 1/20 | 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 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL1574454 | 0.79 | UNG (0.50) | UNGCA12CA1CA2CA6 | |
| SCHEMBL9249047 | 0.79 | UNG (0.50) | UNGCA12CA1CA2CA6 | |
| SCHEMBL28375827 | 0.78 | KMO (0.50) | UNGCA12CA1CA2CA6 | |
| SCHEMBL27430800 | 0.78 | LMNA (0.36) | CYP1A2CYP2C9HPGDHSD17B10ALDH1A1 | |
| SCHEMBL9244583 | 0.76 | UNG (0.47) | UNGCA12CA1CA2CA6 | |
| SCHEMBL28102058 | 0.75 | CA12 (0.54) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL23529435 | 0.74 | UNG (0.63) | UNGCA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL11530535 | 0.74 | UNG (0.63) | UNGCA12CA1CA2CA6 | |
| SCHEMBL2455066 | 0.74 | ALDH1A1 (0.39) | CYP1A2CYP2C9HPGDTSHRALDH1A1 | |
| SCHEMBL9817314 | 0.73 | CYP3A4 (0.44) | CA12CA1CA2CA9HSD17B10 |
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-101610761-A | 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor | NOVARTIS AG (CH) | 2009-12-23 | — | — | CN | disclosed |