Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8852985 | 1.00 | TTR (0.43) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL10412422 | 0.82 | HDAC1 (0.47) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL9331716 | 0.82 | HDAC1 (0.47) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL16382705 | 0.81 | HDAC3 (0.56) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL28607205 | 0.81 | HDAC3 (0.56) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL26246354 | 0.80 | MAPT (0.52) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL5520909 | 0.79 | HDAC1 (0.41) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL7186157 | 0.79 | HDAC1 (0.41) | TTRDPP4CA12CA1CA2 | |
| SCHEMBL6298520 | 0.78 | HDAC1 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6298523 | 0.78 | HDAC1 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-5616720-A | TREATING 1,6-DIPHENYL- OR DIHETERO-SUBSTITUTED 2,5-DIAMINOHEXANOL/3-/ WITH TETRAALKOXYTITANIUM, THEN AMIDATION OF REACTION PRODUCT AND ACYLATION YIELD STABLE VIRICIDES | ABBOTT LABORATORIES (US) | 1997-04-01 | — | — | US | disclosed |