Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9256850 | 1.00 | FFAR1 (0.54) | FFAR1ALDH1A1DEGS1KMT2AMEN1 | |
| SCHEMBL9258086 | 0.95 | ALDH1A1 (0.54) | FFAR1ALDH1A1DEGS1KMT2AMEN1 | |
| SCHEMBL9258078 | 0.95 | ALDH1A1 (0.54) | FFAR1ALDH1A1DEGS1KMT2AMEN1 | |
| SCHEMBL9260712 | 0.85 | NPC1 (0.60) | ALDH1A1DEGS1KMT2AMEN1MAPT | |
| SCHEMBL9260709 | 0.85 | NPC1 (0.60) | ALDH1A1DEGS1KMT2AMEN1MAPT | |
| SCHEMBL10949923 | 0.85 | FFAR1 (0.56) | FFAR1ALDH1A1DEGS1KMT2AMEN1 | |
| SCHEMBL10951616 | 0.78 | NPC1 (0.54) | FFAR1ALDH1A1DEGS1KMT2AMEN1 | |
| SCHEMBL10954608 | 0.78 | NPC1 (0.55) | FFAR1ALDH1A1DEGS1KMT2AMEN1 | |
| SCHEMBL11039318 | 0.75 | SMO (0.54) | FFAR1ALDH1A1DEGS1KMT2AMEN1 | |
| SCHEMBL10408944 | 0.75 | PARP1 (0.56) | FFAR1ALDH1A1DEGS1KMT2AMEN1 |
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 |