Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4228354 | 0.90 | ALDH1A1 (0.52) | ALDH1A1POLBKDM4EGAARECQL | |
| SCHEMBL4375228 | 0.89 | ALDH1A1 (0.45) | ALDH1A1POLBKDM4EGAARECQL | |
| SCHEMBL4368165 | 0.88 | ALDH1A1 (0.45) | ALDH1A1POLBKDM4EGAARECQL | |
| SCHEMBL13952311 | 0.88 | KDM4E (0.45) | ALDH1A1POLBKDM4EGAARECQL | |
| SCHEMBL4381260 | 0.86 | UTS2R (0.53) | ALDH1A1POLBKDM4EGAARECQL | |
| SCHEMBL4369056 | 0.83 | ALDH1A1 (0.46) | ALDH1A1POLBKDM4ERAB9ALMNA | |
| SCHEMBL4369135 | 0.83 | ALDH1A1 (0.46) | ALDH1A1POLBKDM4ERAB9AUTS2R | |
| SCHEMBL4233329 | 0.82 | ALDH1A1 (0.45) | ALDH1A1POLBKDM4EGAARECQL | |
| SCHEMBL4374365 | 0.81 | LMNA (0.48) | ALDH1A1POLBRAB9ALMNAHTT | |
| SCHEMBL4369528 | 0.81 | GAA (0.54) | ALDH1A1POLBKDM4EGAARECQL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009026248-A2 | HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) | 2009-02-26 | — | — | WO | claimed |
| WO-2009026248-A2 | HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) | 2009-02-26 | — | — | WO | disclosed |