Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 5/20 | 0.69 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.69 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.69 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 3/20 | 0.59 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.56 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.56 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.55 |
| ▸ | MGLL | Q99685 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL2772855 | 0.90 | FFAR1 (0.83) | FFAR1CYP4F2CYP4A11NR4A2FFAR4 | |
| SCHEMBL12618315 | 0.88 | FFAR1 (0.66) | FFAR1CYP4F2CYP4A11NR4A2MAOB | |
| SCHEMBL2912575 | 0.88 | FFAR1 (0.66) | FFAR1CYP4F2CYP4A11NR4A2MAOB | |
| SCHEMBL3660617 | 0.88 | FFAR1 (0.66) | FFAR1CYP4F2CYP4A11NR4A2MAOB | |
| SCHEMBL2908859 | 0.86 | FFAR1 (0.64) | FFAR1CYP4F2CYP4A11NR4A2MAOB | |
| SCHEMBL10683288 | 0.85 | FFAR1 (0.63) | FFAR1CYP4F2CYP4A11NR4A2MAOB | |
| SCHEMBL5763262 | 0.84 | FFAR1 (0.70) | FFAR1CYP4F2CYP4A11NR4A2MAOB | |
| SCHEMBL23771271 | 0.84 | CYP2D6 (0.71) | FFAR1CYP4F2CYP4A11NR4A2MAOB | |
| SCHEMBL7332614 | 0.83 | FFAR1 (0.62) | FFAR1FFAR4 | |
| SCHEMBL10733098 | 0.83 | FFAR1 (0.60) | FFAR1CYP4F2CYP4A11NR4A2MAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6046355-A | TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS | WARNER-LAMBERT COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0935597-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1999-08-18 | — | — | EP | disclosed |
| US-5834506-A | TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS | WARNER-LAMBERT COMPANY (US) | 1998-11-10 | — | — | US | disclosed |
| WO-1998019997-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |