Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15953973 | 0.71 | IDO1 (0.52) | CALM1IDO1AGXTNAAAAPP | |
| SCHEMBL24597253 | 0.69 | IDO1 (0.50) | IDO1AGXTNAAAAPP | |
| SCHEMBL18697013 | 0.69 | IDO1 (0.42) | CALM1IDO1AGXTNAAAHRH3 | |
| SCHEMBL23715175 | 0.69 | IDO1 (0.42) | CALM1IDO1AGXTNAAAGAA | |
| SCHEMBL23704839 | 0.69 | IDO1 (0.42) | CALM1IDO1AGXTNAAAGAA | |
| SCHEMBL16821015 | 0.69 | REN (0.50) | IDO1AGXTNAAASMN1; SMN2 | |
| SCHEMBL16685958 | 0.68 | NAAA (0.49) | CALM1IDO1AGXTNAAAKDM4E | |
| SCHEMBL22006159 | 0.68 | REN (0.43) | CALM1IDO1AGXTNAAANPC1 | |
| SCHEMBL4156986 | 0.68 | NAAA (0.46) | CALM1IDO1AGXTNAAASIGMAR1 | |
| SCHEMBL18475579 | 0.68 | APP (0.44) | CALM1IDO1AGXTNAAAHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016100833-A2 | TOTAL SYNTHESIS OF TRIOXACARCIN DC-45-A2 AND PREPARATION OF TRIOXACARCIN ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-06-23 | — | — | WO | disclosed |