Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13699901 | 0.86 | ABL1 (0.48) | ABL1ABCB1BCRLMNAHPGD | |
| Methoxymethane SCHEMBL27367487 | 0.84 | ABL1 (0.47) | ABL1ABCB1BCRLMNAHPGD | |
| SCHEMBL19287149 | 0.77 | ALDH1A1 (0.59) | TSHRNPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL12603825 | 0.76 | LMNA (0.48) | ABL1ABCB1BCRLMNAHPGD | |
| SCHEMBL10304807 | 0.76 | DYRK1A (0.47) | ABL1ABCB1BCRLMNAHPGD | |
| SCHEMBL4557297 | 0.75 | KDM4E (0.44) | ABL1ABCB1BCRTSHRNPC1 | |
| SCHEMBL4457870 | 0.74 | HSD17B1 (0.48) | HPGDERN1KDM4EMAPTPKM | |
| SCHEMBL31299914 | 0.74 | ALDH1A1 (0.44) | LMNAHPGDTSHRERN1MAPK1 | |
| SCHEMBL578049 | 0.73 | ALDH1A1 (0.48) | ERN1MAPK1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL2559819 | 0.73 | HTT (0.45) | HPGDERN1KDM4EALDH1A1CYP2A6 |
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-2013176-A2 | DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER | Sterix Limited (GB) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007096647-A2 | DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER | STERIX LIMITED (GB) | 2007-08-30 | — | — | WO | disclosed |