Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.58 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.39 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27875091 | 0.85 | LOXL2 (0.47) | LOXL2GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL9336032 | 0.78 | MIF (0.44) | KMT2ATSHRCYP1A2MAPT | |
| SCHEMBL16423159 | 0.78 | POLB (0.53) | MEN1KMT2APOLBKCNJ1KCNH2 | |
| SCHEMBL1354151 | 0.78 | ALDH1A1 (0.50) | MEN1KMT2AATMHPNMAPT | |
| SCHEMBL354332 | 0.74 | LOXL2 (1.00) | LOXL2CA9IDO1CA12CA1 | |
| Hydrochloric Acid SCHEMBL726 | 0.73 | LOXL2 (0.95) | LOXL2CA9IDO1CA12CA1 | |
| Methane SCHEMBL11552193 | 0.73 | LOXL2 (0.95) | LOXL2CA9IDO1CA12CA1 | |
| Bromide SCHEMBL31513716 | 0.73 | LOXL2 (0.95) | LOXL2CA9IDO1CA12CA1 | |
| SCHEMBL27858726 | 0.72 | LOXL2 (0.39) | LOXL2GRIA1GRIA2GRIA3GRIA4 | |
| Methane SCHEMBL29190749 | 0.71 | LOXL2 (0.91) | LOXL2CA9IDO1CA12CA1 |
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-102516149-A | 1,3,4 - Trisubstituted pyrrole compound and preparation method and application thereof | UNIV SHANGHAI JIAOTONG | 2012-06-27 | — | — | CN | disclosed |