Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 6/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.51 |
| ▸ | CNR1 | P21554 | 3/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28035907 | 0.77 | HDAC6 (0.50) | SMPD1HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL1234211 | 0.75 | KDM4E (0.46) | SMPD1CNR1CNR2KDM4E | |
| SCHEMBL1738072 | 0.74 | MARS1 (0.63) | SMPD1HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL1233594 | 0.74 | CNR1 (0.44) | SMPD1CNR1CNR2 | |
| SCHEMBL4019481 | 0.73 | KDM4E (0.48) | SMPD1KDM4EALDH1A1HPGD | |
| SCHEMBL27748917 | 0.73 | CNR1 (0.59) | CNR1CNR2 | |
| SCHEMBL28244390 | 0.72 | SMPD1 (0.51) | SMPD1CNR1CNR2 | |
| SCHEMBL29988830 | 0.71 | SMPD1 (0.58) | SMPD1HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL14678038 | 0.71 | MARS1 (0.50) | SMPD1KDM4EALDH1A1HPGD | |
| SCHEMBL1233430 | 0.70 | CNR1 (0.42) | SMPD1CNR1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104945324-A | Sulfur-based compound with anti-tumor activity and application thereof | UNIV SHENYANG PHARMACEUTICAL | 2015-09-30 | — | — | CN | claimed |
| CN-104945324-A | Sulfur-based compound with anti-tumor activity and application thereof | UNIV SHENYANG PHARMACEUTICAL | 2015-09-30 | — | — | CN | disclosed |