Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MDM4 | O15151 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27617788 | 0.91 | MTNR1A (0.58) | ALDH1A1MTNR1AMTNR1BMAOBABCB1 | |
| SCHEMBL27535182 | 0.87 | ESR1 (0.52) | ESR1ESR2ALDH1A1MIF | |
| SCHEMBL8329187 | 0.86 | F2 (0.55) | ESR1ESR2ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL6177276 | 0.83 | GABBR2 (0.56) | ESR1ESR2MTNR1AMTNR1BMIF | |
| SCHEMBL6178799 | 0.83 | GABBR2 (0.56) | ESR1ESR2MTNR1AMTNR1BMIF | |
| SCHEMBL6177284 | 0.83 | GABBR2 (0.56) | ESR1ESR2MTNR1AMTNR1BMIF | |
| SCHEMBL7995142 | 0.82 | ALDH1A1 (0.67) | ALDH1A1TSHR | |
| SCHEMBL27541217 | 0.82 | MME (0.52) | ESR1ESR2OPRM1OPRK1MAOB | |
| SCHEMBL7993735 | 0.80 | ESR1 (0.43) | ESR1ESR2ALDH1A1 | |
| SCHEMBL27535219 | 0.79 | MIF (0.56) | ESR1ESR2ALDH1A1MAOBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6645991-B1 | Glycoprotein adhesion receptor antagonists such as 3-phenyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl)-butyric acid, used for prophylaxis of tumors, osteoporosis, cardiovascular diseases, fibrosis, inflammation, infections or psoriasis | MERCK PATENT GMBH (DE) | 2003-11-11 | — | — | US | disclosed |
| CN-1370146-A | Alpha/Beta integrin inhibitors | MERCK PATONT GMBH (DE) | 2002-09-18 | — | — | CN | disclosed |