Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7673745 | 0.73 | EGFR (0.42) | HPGDKDM4EALDH1A1ELANELMNA | |
| SCHEMBL28208613 | 0.71 | TSHR (0.51) | HPGDKDM4EALDH1A1HSD17B10ELANE | |
| SCHEMBL17687428 | 0.71 | KDM4E (0.40) | HTR6HPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL2662238 | 0.69 | MAPT (0.43) | HPGDKDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL28698421 | 0.69 | HTR6 (0.50) | HTR6HPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL28341246 | 0.68 | KDM4E (0.42) | HPGDKDM4EALDH1A1LMNASMN1; SMN2 | |
| (Phenylsulfonyl)Benzene SCHEMBL1736247 | 0.68 | MAPT (0.62) | HTR6HPGDKDM4EALDH1A1HSD17B10 | |
| (Phenylsulfonyl)Benzene SCHEMBL8958296 | 0.67 | HTR6 (0.74) | HTR6HPGDALDH1A1CA12CA1 | |
| (Phenylsulfonyl)Benzene SCHEMBL28297601 | 0.67 | HTR6 (0.74) | HTR6HPGDALDH1A1CA12CA1 | |
| SCHEMBL2970077 | 0.67 | CA2 (0.61) | HTR6HPGDKDM4EALDH1A1HSD17B10 |
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-1915055-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007021629-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-22 | — | — | WO | disclosed |