Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HTR1B | P28222 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8804043 | 0.84 | KIF11 (0.38) | KIF11HSD17B10HPGDCYP2C19CYP1A2 | |
| SCHEMBL27684804 | 0.84 | KIF11 (0.41) | KIF11TAAR1HSD17B10HPGDCYP2C19 | |
| SCHEMBL27684715 | 0.81 | KIF11 (0.39) | KIF11TAAR1HSD17B10HPGDCYP2C19 | |
| SCHEMBL2086206 | 0.78 | TAAR1 (0.54) | KIF11TAAR1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL28369183 | 0.76 | ALDH1A1 (0.38) | KIF11HSD17B10HPGDCYP2C19CYP1A2 | |
| SCHEMBL5010143 | 0.76 | KIF11 (0.41) | KIF11HSD17B10HPGDCYP2C19CYP1A2 | |
| SCHEMBL16721031 | 0.73 | CYP2C19 (0.44) | KIF11HSD17B10HPGDCYP2C19CYP1A2 | |
| SCHEMBL27684720 | 0.73 | KIF11 (0.43) | KIF11TAAR1HSD17B10HPGDCYP2C19 | |
| SCHEMBL9179221 | 0.73 | KIF11 (0.46) | KIF11TAAR1HSD17B10HPGDCYP2C19 | |
| SCHEMBL28039335 | 0.73 | ALDH1A1 (0.35) | KIF11HSD17B10HPGDCYP2C19CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1148876-A4 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2003-07-23 | — | — | EP | disclosed |
| EP-1070048-A4 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-1148876-A1 | CALCILYTIC COMPOUNDS | SmithKline Beecham Corporation (US) | 2001-10-31 | — | — | EP | disclosed |
| EP-1070048-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | disclosed |
| WO-2000045816-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (GB) | 2000-08-10 | — | — | WO | disclosed |
| WO-1999051569-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | disclosed |