Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GGT1 | P19440 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CFD | P00746 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9502623 | 0.85 | ALDH1A1 (0.37) | KDM4EALDH1A1HPGDLMNAADORA2A | |
| SCHEMBL28056297 | 0.83 | ALDH1A1 (0.44) | KDM4EALDH1A1TSHRHSD17B10PTGS2 | |
| SCHEMBL11085967 | 0.81 | ALDH1A1 (0.38) | KDM4EALDH1A1LMNACYP2C9ADORA3 | |
| SCHEMBL11091373 | 0.81 | ADORA3 (0.40) | KDM4EALDH1A1TSHRHSD17B10HPGD | |
| SCHEMBL11093901 | 0.78 | ALDH1A1 (0.36) | KDM4EALDH1A1LMNACYP2C9MAPT | |
| SCHEMBL11862609 | 0.77 | ADORA2A (0.33) | KDM4EALDH1A1LMNAADORA2AADORA1 | |
| SCHEMBL17633516 | 0.76 | AKR1C2 (0.45) | KDM4EALDH1A1HSD17B10HPGDLMNA | |
| SCHEMBL11787865 | 0.76 | SMN1; SMN2 (0.39) | KDM4EALDH1A1TSHRHSD17B10HPGD | |
| Pyridate SCHEMBL53240 | 0.75 | SOAT1 (0.40) | ALDH1A1PTGS2CYP1A2CYP2C9ADORA3 | |
| Pyridate SCHEMBL9065928 | 0.75 | SOAT1 (0.40) | ALDH1A1PTGS2CYP1A2CYP2C9ADORA3 |
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-105503877-A | Imidazopyridazine compound and application thereof | HUTCHISON MEDIPHARMA LTD | 2016-04-20 | — | — | CN | disclosed |