Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1104002 | 0.77 | IDO1 (0.52) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL22513710 | 0.75 | TAAR1 (0.58) | IDO1AGXTTAAR1MAOBCMA1 | |
| SCHEMBL497837 | 0.73 | IDO1 (0.58) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL834551 | 0.72 | TAAR1 (0.73) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL27884 | 0.72 | LTA4H (0.81) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL1425001 | 0.72 | LTA4H (0.81) | IDO1CA12CA1CA2CA7 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.71 | CA1 (1.00) | IDO1CA12CA1CA2CA7 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.71 | CA1 (1.00) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL16202955 | 0.70 | CA1 (0.61) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL30878 | 0.70 | CA12 (0.61) | IDO1CA12CA1CA2CA7 |
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-2017214269-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2017-12-14 | — | — | WO | disclosed |