Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.57 |
| ▸ | GFER | P55789 | 1/20 | 0.57 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | VCP | P55072 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1250 | 0.88 | NPC1 (0.71) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL9261114 | 0.83 | MEN1 (0.57) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL30056471 | 0.83 | RAB9A (0.61) | NPC1RAB9AMEN1KMT2APOLB | |
| Aniline SCHEMBL1444501 | 0.80 | RAB9A (0.61) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL9260524 | 0.80 | SMN1; SMN2 (0.61) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL30056033 | 0.80 | RAB9A (0.89) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL4104247 | 0.78 | MEN1 (0.58) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL9263110 | 0.77 | NPC1 (0.70) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL28302925 | 0.77 | MEN1 (0.66) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL402518 | 0.76 | RARB (0.62) | PTPN11FFAR1RARBRARGSLC16A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5411977-A | Substituted 2,5-diaryl-4-isothiazolin-3-ones as antiinflammatory and antithrombotic agents | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-02 | — | — | US | disclosed |