Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.52 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL26888093 | 0.87 | PLK1 (0.59) | PLK1NPC1TP53CYP1A2CYP2C9 | |
| SCHEMBL24326619 | 0.85 | S1PR2 (0.49) | NPC1TP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24326620 | 0.83 | TP53 (0.53) | PLK1NPC1TP53CYP1A2CYP2C9 | |
| SCHEMBL24326628 | 0.82 | TDP1 (0.64) | HDAC1HDAC2HDAC8SIRT2LMNA | |
| SCHEMBL24325677 | 0.79 | S1PR2 (0.53) | NPC1TP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL26691022 | 0.77 | MAPT (0.51) | TP53HDAC4HDAC6S1PR2S1PR1 | |
| SCHEMBL26690928 | 0.76 | HDAC2 (0.53) | NPC1CYP1A2CYP2C9CYP2C19HDAC1 | |
| SCHEMBL26690956 | 0.76 | S1PR2 (0.53) | HDAC4HDAC6S1PR2S1PR1S1PR3 | |
| SCHEMBL22280639 | 0.76 | TP53 (0.49) | PLK1NPC1TP53CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL26691018 | 0.75 | S1PR1 (0.64) | NPC1S1PR2S1PR1S1PR3LPAR2 |
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-2020154431-A1 | INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY | LYNCH KEVIN R (US) | 2020-07-30 | — | — | WO | disclosed |