Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 5/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 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 | |
|---|---|---|---|---|
| SCHEMBL8862091 | 0.77 | TDP1 (0.49) | CALM1L3MBTL1 | |
| SCHEMBL8862044 | 0.77 | TDP1 (0.49) | CALM1L3MBTL1 | |
| SCHEMBL7795405 | 0.77 | TAAR1 (0.35) | — | |
| SCHEMBL532667 | 0.77 | MAOB (0.46) | CYP19A1MAOBL3MBTL1 | |
| SCHEMBL5782201 | 0.74 | ABCB1 (0.43) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL1754326 | 0.70 | CYP19A1 (0.50) | CYP19A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL1972535 | 0.70 | CYP19A1 (0.66) | CYP19A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL5574146 | 0.70 | CYP3A4 (0.41) | TSHRL3MBTL1 | |
| SCHEMBL5236553 | 0.70 | CA4 (0.40) | TSHRMAPK1ABCB1MAOB | |
| SCHEMBL7191335 | 0.69 | — | — |
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-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |
| WO-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |