Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.56 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20433788 | 0.95 | IDO1 (0.62) | IDO1GPR84FFAR1ALDH1A1XBP1 | |
| SCHEMBL29890737 | 0.95 | IDO1 (0.62) | IDO1GPR84FFAR1ALDH1A1XBP1 | |
| SCHEMBL10340150 | 0.95 | IDO1 (0.62) | IDO1GPR84FFAR1ALDH1A1XBP1 | |
| SCHEMBL14461584 | 0.88 | IDO1 (0.59) | IDO1GPR84FFAR1 | |
| SCHEMBL19529546 | 0.82 | GPR84 (0.59) | IDO1GPR84FFAR1ALDH1A1HTT | |
| SCHEMBL20433856 | 0.82 | GPR84 (0.59) | IDO1GPR84FFAR1ALDH1A1HTT | |
| Acetic Acid SCHEMBL27529459 | 0.80 | FFAR1 (0.52) | IDO1GPR84FFAR1KDM4EALDH1A1 | |
| SCHEMBL8082622 | 0.78 | IDO1 (0.62) | IDO1GPR84FFAR1ALDH1A1KMT2A | |
| SCHEMBL7326172 | 0.78 | IDO1 (0.62) | IDO1GPR84FFAR1ALDH1A1XBP1 | |
| SCHEMBL6689946 | 0.78 | IDO1 (0.67) | IDO1GPR84FFAR1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2220061-B1 | SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME (US) | 2016-02-17 | — | — | EP | disclosed |