Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4310219 | 0.80 | IDO1 (0.55) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL689563 | 0.80 | TAAR1 (0.52) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL6263676 | 0.78 | TAAR1 (0.50) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL3185470 | 0.78 | TAAR1 (0.50) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL30581261 | 0.78 | TAAR1 (0.50) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL27744248 | 0.78 | TAAR1 (0.55) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL27695225 | 0.75 | TAAR1 (0.47) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL28351492 | 0.75 | IDO1 (0.55) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL42450 | 0.75 | — | — | |
| SCHEMBL9216959 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| EP-1054857-B1 | BIARYL-ACETIC ACID DERIVATIVES AND THEIR USE AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-11-05 | — | — | EP | disclosed |
| EP-1054857-A1 | BIARYL-ACETIC ACID DERIVATIVES AND THEIR USE AS COX-2 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2000-11-29 | — | — | EP | disclosed |
| US-5994379-A | Bisaryl COX-2 inhibiting compounds, compositions and methods of use | MERCK FROSST CANADA, INC. (CA) | 1999-11-30 | — | — | US | disclosed |
| WO-1999041224-A1 | BIARYL-ACETIC ACID DERIVATIVES AND THEIR USE AS COX-2 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 1999-08-19 | — | — | WO | disclosed |