Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CRHBP | P24387 | 1/20 | 0.51 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5277109 | 0.98 | CA12 (0.53) | CA12CA1CA2CA9SMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL22130284 | 0.86 | TSHR (0.50) | CA12CA9SMN1; SMN2MAPTCRHBP | |
| SCHEMBL28240316 | 0.82 | ALDH1A1 (0.58) | CA12CA1CA2CA9MAPT | |
| SCHEMBL2137445 | 0.81 | CYP19A1 (0.54) | CA12CA1CA2CA9MAPT | |
| SCHEMBL11348910 | 0.80 | ACHE (0.44) | SMN1; SMN2MAPTCRHBPCRHR2HSD17B10 | |
| SCHEMBL14154089 | 0.79 | ALDH1A1 (0.62) | SMN1; SMN2MAPTHSD17B10ACHEALDH1A1 | |
| SCHEMBL18449560 | 0.79 | IDO1 (0.50) | SMN1; SMN2MAPTCRHBPCRHR2CYP19A1 | |
| SCHEMBL4984806 | 0.79 | KCNH2 (0.54) | MAPTCYP19A1ALDH1A1 | |
| SCHEMBL30532372 | 0.79 | AKR1C3 (0.57) | SMN1; SMN2MAPTACHECYP19A1ALDH1A1 | |
| SCHEMBL5849628 | 0.79 | AKR1C3 (0.57) | SMN1; SMN2MAPTACHECYP19A1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6552088-B2 | 2'-methyl-biphenyl-2-carboxylic acid-(3,5-bis-trifluoromethyl-benzyl)-methyl-amide, for example; treating disease related to neurokinin 1 receptor | HOFFMANN-LA ROCHE INC. | 2003-04-22 | — | — | US | disclosed |