Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.30 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9900199 | 0.82 | BACE1 (0.34) | ALDH1A1TSHRALOX12EGFRCA1 | |
| SCHEMBL9515155 | 0.67 | KDM1A (0.49) | KDM1AALDH1A1DRD2ALOX12HTT | |
| SCHEMBL9923815 | 0.62 | PTGS1 (0.44) | CNR1CHRNB2CHRNA4HTR1A | |
| SCHEMBL19400306 | 0.62 | PTGS1 (0.44) | CNR1CHRNB2CHRNA4HTR1A | |
| SCHEMBL11408083 | 0.60 | HTR1A (0.45) | DRD2HTR1A | |
| SCHEMBL2045590 | 0.60 | MEN1 (0.40) | KDM1AALDH1A1TSHRHIF1AEGFR | |
| SCHEMBL24116407 | 0.60 | CNR1 (0.39) | CNR1HTR1A | |
| SCHEMBL16953902 | 0.58 | KDM4E (0.38) | CHRNB2CHRNA4ALDH1A1TSHRDRD2 | |
| SCHEMBL3149033 | 0.58 | — | — | |
| SCHEMBL8999504 | 0.58 | — | — |
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-2012076877-A1 | HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS | AUTIFONY THERAPEUTICS LIMITED (GB) | 2012-06-14 | — | — | WO | disclosed |