Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL11054700 | 0.96 | HDAC6 (0.41) | HPGDHDAC6LCKSMN1; SMN2ALOX5 | |
| SCHEMBL11054409 | 0.93 | ESR1 (0.39) | HPGDHDAC6ESR1HTTALDH1A1 | |
| Hydrochloric Acid SCHEMBL11562345 | 0.90 | ALOX5 (0.42) | HPGDSMN1; SMN2ALOX5HTTTSHR | |
| SCHEMBL11057291 | 0.88 | HPGD (0.44) | HPGDSMN1; SMN2ALOX5LMNAHTT | |
| SCHEMBL11059255 | 0.88 | ABL1 (0.40) | HDAC6ESR1HTTALDH1A1 | |
| SCHEMBL11056672 | 0.87 | POLB (0.41) | HPGDSMN1; SMN2ALOX5ESR1HTT | |
| Hydrochloric Acid SCHEMBL11556716 | 0.86 | NAAA (0.40) | HPGDSMN1; SMN2ALOX5HTTALDH1A1 | |
| Hydrochloric Acid SCHEMBL11133882 | 0.86 | ABL1 (0.40) | HDAC6LMNAESR1HTTALDH1A1 | |
| SCHEMBL11058223 | 0.86 | ALOX5 (0.39) | HPGDHDAC6SMN1; SMN2ALOX5HTT | |
| Hydrochloric Acid SCHEMBL11561808 | 0.85 | NAAA (0.42) | HPGDHTTALDH1A1EPHX1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |