Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MPI | P34949 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15437890 | 0.77 | HDAC4 (0.62) | HDAC4HDAC2HDAC8HDAC6BACE1 | |
| SCHEMBL5389905 | 0.77 | HDAC4 (0.62) | HDAC4HDAC2HDAC8HDAC6BACE1 | |
| SCHEMBL2442343 | 0.77 | GSTP1 (0.62) | HDAC4HDAC2HDAC8HDAC6ALOX5 | |
| SCHEMBL5050883 | 0.76 | HSD17B1 (0.58) | ALOX5BACE1HSD17B1ESR2ESR1 | |
| SCHEMBL8450704 | 0.75 | ALOX5 (0.63) | ALOX5BACE1HSD17B1ESR2ESR1 | |
| SCHEMBL7616374 | 0.74 | HDAC4 (0.65) | HDAC4HDAC2HDAC8HDAC6BACE1 | |
| Biphenyl SCHEMBL18315407 | 0.74 | CYP3A4 (0.71) | ALOX5BACE1HSD17B1ESR2ESR1 | |
| SCHEMBL4651426 | 0.74 | HSD17B1 (0.56) | ALOX5BACE1HSD17B1ESR2ESR1 | |
| SCHEMBL10481639 | 0.73 | HDAC4 (0.77) | HDAC4HDAC2HDAC8HDAC6BACE1 | |
| SCHEMBL11328974 | 0.73 | ALDH1A1 (0.57) | HDAC4HDAC2HDAC8HDAC6ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-6096144-A | TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| US-5858571-A | TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-01-12 | — | — | US | disclosed |