Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 2/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL71432 | 0.90 | AKR1C3 (0.61) | AKR1C3KMONR4A2KMT2AMRGPRX4 | |
| Water SCHEMBL27971095 | 0.89 | AKR1C3 (0.59) | AKR1C3KMONR4A2KMT2AMRGPRX4 | |
| Toluene SCHEMBL28189299 | 0.81 | AKR1C3 (0.56) | AKR1C3KMONR4A2KMT2APOLB | |
| SCHEMBL1941132 | 0.80 | AKR1C3 (0.58) | AKR1C3KMONR4A2KMT2AMRGPRX4 | |
| SCHEMBL11000519 | 0.80 | AKR1C3 (0.54) | AKR1C3KMONR4A2KMT2AMRGPRX4 | |
| Ethyl Acetate SCHEMBL5560814 | 0.77 | KMT2A (0.51) | AKR1C3KMONR4A2KMT2APOLB | |
| SCHEMBL28598896 | 0.76 | TSHR (0.44) | AKR1C3KMONR4A2KMT2AMRGPRX4 | |
| SCHEMBL29118338 | 0.76 | AKR1C3 (0.71) | AKR1C3KMONR4A2KMT2AMRGPRX4 | |
| SCHEMBL30517803 | 0.76 | AKR1C3 (0.66) | AKR1C3KMONR4A2KMT2AMRGPRX4 | |
| SCHEMBL5235780 | 0.76 | AKR1C3 (0.66) | AKR1C3KMONR4A2KMT2AMRGPRX4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3080115-A1 | FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB Biopharma SPRL (BE) | 2016-10-19 | — | — | EP | disclosed |
| WO-2015086506-A1 | FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB BIOPHARMA SPRL (BE) | 2015-06-18 | — | — | WO | disclosed |