Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | KDM6B | O15054 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.40 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL676001 | 0.83 | KDM4E (0.50) | TSHRSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL38650638 | 0.83 | KDM4E (0.50) | TSHRSMN1; SMN2CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL7056332 | 0.82 | CYP1A2 (0.49) | TSHRSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL5570130 | 0.82 | CYP1A2 (0.49) | TSHRSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL7054376 | 0.81 | TSHR (0.44) | TSHRSMN1; SMN2CA12CA1CA2 | |
| SCHEMBL28850621 | 0.76 | MEN1 (0.48) | SMN1; SMN2P4HTMKDM4ECYP1A2MEN1 | |
| SCHEMBL9848049 | 0.76 | KDM4E (0.60) | TSHRSMN1; SMN2P4HTMKDM4ECYP1A2 | |
| SCHEMBL29193660 | 0.74 | CA12 (0.49) | CA12CA1CA2CA9HCAR2 | |
| SCHEMBL11291069 | 0.73 | KAT6A (0.57) | TSHRSMN1; SMN2KAT6AP4HTMKDM4E | |
| SCHEMBL819787 | 0.73 | LMNA (0.52) | TSHRSMN1; SMN2CA12CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0979820-B1 | 2-Phenylpyridine derivatives and production method thereof | SUMIKA FINE CHEMICALS CO LTD (JP) | 2003-05-07 | — | — | EP | disclosed |
| US-6268503-B1 | REACTING 2-(4-BROMOMETHYLPHENYL)PYRIDINE SALT OR 2-(4-DIBROMOMETHYLPHENYL)PYRIDINE WITH HEXAMETHYLENETETRAMINE AND WATER TO PROVIDE 4-(PYRIDIN-2-YL)BENZALDEHYDE | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 2001-07-31 | — | — | US | disclosed |
| US-6242608-B1 | REACTING 4-(PYRIDIN-2-YL)BENZALDEHYDE WITH HYDRAZINE TO FORM 4-(PYRIDIN-2-YL)BENZALDEHYDE HYDRAZONE; CHEMICAL INTERMEDIATE TO AN ANTI-HIV DRUG | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 2001-06-05 | — | — | US | disclosed |
| US-6147218-A | 2-phenylpyridine derivative and production method thereof | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| EP-0979820-A1 | 2-Phenylpyridine derivatives and production method thereof | SUMIKA FINE CHEMICALS Co., Ltd. (JP) | 2000-02-16 | — | — | EP | disclosed |