Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21996211 | 1.00 | IDO1 (0.46) | IDO1AGXTNPC1RAB9ASLC6A4 | |
| SCHEMBL13149244 | 0.83 | ALDH1A1 (0.53) | IDO1AGXTSLC6A4APPSMN1; SMN2 | |
| SCHEMBL31388986 | 0.83 | ALDH1A1 (0.53) | IDO1AGXTSLC6A4APPSMN1; SMN2 | |
| SCHEMBL12772128 | 0.81 | CA1 (0.40) | IDO1AGXTNPC1RAB9ASLC6A4 | |
| SCHEMBL11577777 | 0.81 | SLC1A3 (0.45) | IDO1TAAR1HTTALDH1A1TSHR | |
| SCHEMBL13149138 | 0.81 | IDO1 (0.47) | IDO1AGXTSLC6A4APPSMN1; SMN2 | |
| SCHEMBL12770001 | 0.80 | IDO1 (0.42) | IDO1AGXTNPC1RAB9ASLC6A4 | |
| SCHEMBL7069810 | 0.79 | IDO1 (0.48) | IDO1AGXTNPC1RAB9ASLC6A4 | |
| SCHEMBL16594094 | 0.79 | IDO1 (0.48) | IDO1AGXTNPC1RAB9ASLC6A4 | |
| SCHEMBL28885907 | 0.79 | IDO1 (0.52) | IDO1AGXTSLC6A4APP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2308861-B1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI R&D MAN CO LTD (JP) | 2017-03-01 | — | — | EP | disclosed |
| US-7915306-B2 | For therapy of inflammatory or autoimmune disorders | EISAI CO., LTD. (JP) | 2011-03-29 | — | — | US | disclosed |
| US-7799827-B2 | Macrocyclic compounds useful as pharmaceuticals | EISAI CO., LTD. (JP) | 2010-09-21 | — | — | US | disclosed |