Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5854203 | 0.99 | ESR1 (0.39) | ESR1ESRRGESR2PTPN1PTPN11 | |
| Hydrochloric Acid SCHEMBL3846536 | 0.84 | MKNK1 (0.38) | ADORA2AHPGDCYP3A4 | |
| SCHEMBL3849894 | 0.82 | TGFBR1 (0.36) | ESR1ESRRGESR2PTPN1PTPN11 | |
| Hydrochloric Acid SCHEMBL3847227 | 0.82 | TGFBR1 (0.35) | TGFBR1FYNRAB9ANPC1STIM1 | |
| Hydrochloric Acid SCHEMBL3854633 | 0.80 | MKNK1 (0.47) | HPGDALDH1A1RAB9ANPC1MAPT | |
| Hydrochloric Acid SCHEMBL3846482 | 0.76 | MKNK1 (0.41) | TGFBR1 | |
| Hydrochloric Acid SCHEMBL3856566 | 0.74 | KDR (0.33) | TGFBR1 | |
| SCHEMBL3845864 | 0.72 | TGFBR1 (0.39) | TGFBR1HPGDALDH1A1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3855900 | 0.72 | KDR (0.41) | TGFBR1 | |
| Hydrochloric Acid SCHEMBL3854641 | 0.72 | KDR (0.41) | TGFBR1FYN |
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 |
|---|---|---|---|---|---|---|---|
| EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |