Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | IAPP | P10997 | 4/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27442998 | 1.00 | MMP2 (0.42) | MMP2HMGB1TSHRGABRR1GPR35 | |
| Hydrochloric Acid SCHEMBL27537274 | 0.98 | MMP2 (0.41) | MMP2HMGB1TSHRGABRR1GPR35 | |
| Acetic Acid SCHEMBL27543237 | 0.97 | MMP2 (0.40) | MMP2HMGB1TSHRGABRR1GPR35 | |
| SCHEMBL27741080 | 0.85 | TSHR (0.46) | TSHRGABRR1GPR35LTB4RCYP1A2 | |
| SCHEMBL7038034 | 0.83 | MMP2 (0.43) | MMP2HMGB1 | |
| SCHEMBL27412207 | 0.77 | AKR1B1 (0.50) | TSHRGABRR1LTB4RCYP1A2APAF1 | |
| SCHEMBL28115918 | 0.76 | MMP2 (0.39) | MMP2HMGB1TSHRIAPPGABRA1 | |
| SCHEMBL29133246 | 0.76 | LTB4R (0.47) | TSHRGABRR1LTB4RAPAF1 | |
| SCHEMBL6248978 | 0.75 | MMP2 (0.48) | MMP2HMGB1IAPP | |
| SCHEMBL8442321 | 0.74 | ALDH1A1 (0.41) | MMP2TSHRCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1098838-C | Substituted N- (indole-2-carbonyl) -beta-alaninamides and derivatives as antidiabetics | PFIZER (US) | 2003-01-15 | — | — | CN | disclosed |
| CN-1140709-A | Substituted N- (indole-2-carbonyl) -beta-alaninamides and derivatives as antidiabetics | PFIZER (US) | 1997-01-22 | — | — | CN | disclosed |