Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8377317 | 0.99 | PTPN1 (0.39) | PTPN1PLK1PPARAKDM4EEPHX2 | |
| SCHEMBL8095376 | 0.78 | ALDH1A1 (0.42) | PLK1POLBMLYCDNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8102214 | 0.77 | ALDH1A1 (0.41) | PLK1POLBMLYCDNPC1RAB9A | |
| SCHEMBL1021023 | 0.74 | ALDH1A1 (0.44) | KDM4EPOLBTSHRRECQLNPC1 | |
| Hydrochloric Acid SCHEMBL27523182 | 0.73 | ALDH1A1 (0.43) | KDM4EPOLBTSHRRECQLNPC1 | |
| SCHEMBL24835232 | 0.72 | HDAC8 (0.43) | PTPN1PLK1PPARAKDM4ENPC1 | |
| SCHEMBL8815039 | 0.70 | HDAC6 (0.52) | KDM4EEPHX2NR1H4NPC1RAB9A | |
| SCHEMBL8813054 | 0.69 | HDAC6 (0.51) | KDM4EEPHX2NR1H4NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8895520 | 0.68 | PTGES (0.49) | — | |
| SCHEMBL8337316 | 0.68 | CYP4A11 (0.60) | KMT2ACA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5869531-A | NO UNDESIREABLE SALIDIURETIC PROPERTIES; TREATING ISCHEMIA INDUCED DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-02-09 | — | — | US | claimed |