Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | RORB | Q92753 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | KLK1 | P06870 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16502458 | 0.84 | PLA2G2D (0.49) | KDM4ERAB9ANPC1SMN1; SMN2MAP4K4 | |
| SCHEMBL16503576 | 0.82 | HSP90AA1 (0.35) | CYP1A2CYP2A6CYP1A1CYP1B1KDM4E | |
| SCHEMBL7920129 | 0.82 | TNF (0.45) | CYP1A2KDM4EALDH1A1SMN1; SMN2F2 | |
| SCHEMBL7916817 | 0.81 | AKR1C3 (0.41) | CYP1A2CYP1A1CYP1B1KDM4ERAB9A | |
| SCHEMBL16503471 | 0.80 | DOT1L (0.39) | KDM4EALDH1A1RORCRORBSMN1; SMN2 | |
| SCHEMBL7916768 | 0.79 | KDM4E (0.38) | CYP1A1CYP1B1KDM4ERAB9ARORC | |
| SCHEMBL7906715 | 0.78 | MAPT (0.41) | KDM4EALDH1A1RAB9ASMN1; SMN2PLAU | |
| SCHEMBL7906709 | 0.78 | CA1 (0.41) | CYP1A2KDM4EKMT2ACYP2C19 | |
| SCHEMBL16502432 | 0.77 | MAPT (0.48) | CYP1A2KDM4EALDH1A1GLARAB9A | |
| SCHEMBL7915836 | 0.76 | GRM2 (0.35) | RORCF2PLGPLAUPLAT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010090304-A1 | ACYLGUANIDINE DERIVATIVE | アステラス製薬株式会社 (JP) | 2010-08-12 | — | — | WO | disclosed |