Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8513715 | 0.93 | CA2 (0.46) | CA2CA1ALDH1A1TDP1LMNA | |
| SCHEMBL165936 | 0.91 | LMNA (0.48) | CA2CA1ALDH1A1TDP1LMNA | |
| SCHEMBL9328516 | 0.91 | LMNA (0.48) | CA2CA1ALDH1A1TDP1LMNA | |
| SCHEMBL6598059 | 0.91 | LMNA (0.48) | CA2CA1ALDH1A1TDP1LMNA | |
| SCHEMBL6600761 | 0.91 | LMNA (0.48) | CA2CA1ALDH1A1TDP1LMNA | |
| Hydrochloric Acid SCHEMBL27506925 | 0.89 | LMNA (0.47) | CA2CA1ALDH1A1TDP1LMNA | |
| SCHEMBL79562 | 0.87 | ALDH1A1 (0.52) | CA2CA1ALDH1A1TDP1LMNA | |
| SCHEMBL4635910 | 0.85 | LMNA (0.48) | CA2CA1LMNAGPR84TP53 | |
| SCHEMBL12231548 | 0.83 | LMNA (0.52) | CA2LMNACYP3A4GPR84MEN1 | |
| SCHEMBL22404357 | 0.83 | LMNA (0.52) | CA2LMNACYP3A4GPR84MEN1 |
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-102459251-B | Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene a4 hydrolase | JANSSEN PHARMACEUTICA NV | 2015-05-20 | — | — | CN | disclosed |