Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 9/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL8190241 | 0.80 | CLK4 (0.49) | FLT1CDK8CDK9LIMK1ROCK1 | |
| SCHEMBL14465345 | 0.72 | NPC1 (0.60) | NPC1SMN1; SMN2ALDH1A1LMNARAB9A | |
| SCHEMBL8016792 | 0.68 | NPC1 (0.31) | NPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL1177593 | 0.67 | BRD4 (0.37) | NPC1SMN1; SMN2BRD4LMNARAB9A | |
| SCHEMBL17503644 | 0.67 | MEN1 (0.39) | NPC1SMN1; SMN2ALDH1A1LMNARAB9A | |
| SCHEMBL8187231 | 0.65 | ALDH1A1 (0.44) | FLT1CDK8CDK9LIMK1ROCK1 | |
| SCHEMBL28144636 | 0.65 | CYP3A4 (0.47) | ALDH1A1LMNA | |
| SCHEMBL27556606 | 0.65 | TNKS (0.41) | NPC1SMN1; SMN2ALDH1A1LMNARAB9A | |
| SCHEMBL893903 | 0.64 | KDM4E (0.56) | NPC1SMN1; SMN2BRD4ALDH1A1LMNA | |
| SCHEMBL11878614 | 0.63 | AKT1 (0.41) | FLT1CDK8CDK9LIMK1ROCK1 |
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-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |