Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 4/20 | 0.39 |
| ▸ | MMP8 | P22894 | 4/20 | 0.39 |
| ▸ | MMP12 | P39900 | 4/20 | 0.39 |
| ▸ | MMP13 | P45452 | 4/20 | 0.39 |
| ▸ | MMP14 | P50281 | 4/20 | 0.39 |
| ▸ | MMP16 | P51512 | 4/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | POLQ | O75417 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | MMP3 | P08254 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1732513 | 0.85 | MTNR1A (0.39) | PAX8MMP13L3MBTL1BRD4 | |
| SCHEMBL19665869 | 0.85 | NPSR1 (0.43) | PAX8CYP2C19HIF1AL3MBTL1BRD4 | |
| SCHEMBL21084775 | 0.84 | PAX8 (0.46) | TDP1PAX8MMP13CYP2C19L3MBTL1 | |
| SCHEMBL17086037 | 0.83 | PAX8 (0.40) | PAX8MMP13CYP2C19POLQL3MBTL1 | |
| SCHEMBL10787806 | 0.83 | HDAC3 (0.41) | PAX8L3MBTL1MEN1KMT2ANPSR1 | |
| SCHEMBL9729250 | 0.82 | AKR1B1 (0.41) | AKR1B1TDP1MMP2MMP8MMP12 | |
| SCHEMBL9729218 | 0.80 | AKR1B1 (0.39) | AKR1B1TDP1MMP2MMP8MMP12 | |
| SCHEMBL15809948 | 0.80 | LTB4R (0.51) | — | |
| SCHEMBL28752858 | 0.79 | ALDH1A1 (0.42) | TDP1PAX8CYP2C19L3MBTL1BRD4 | |
| SCHEMBL29430479 | 0.79 | HTR2C (0.45) | AKR1B1TDP1MMP2MMP8MMP12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011011483-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-01-27 | — | — | WO | disclosed |
| US-6891044-B2 | Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use | AGOURON PHARMACEUTICALS, INC. (US) | 2005-05-10 | — | — | US | disclosed |
| US-5112988-A | ISOINDOLONE DERIVATIVES | RHONE-POULENC SANTE (FR) | 1992-05-12 | — | — | US | disclosed |
| US-5102667-A | Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders | RHONE-POULENC SANTE (FR) | 1992-04-07 | — | — | US | disclosed |