Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 3/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14825914 | 0.97 | — | — | |
| SCHEMBL28072080 | 0.94 | HCAR2 (0.52) | HCAR2ALDH1A1TSHRALOX15KDM4E | |
| SCHEMBL27550564 | 0.72 | HCAR2 (0.94) | HCAR2ALDH1A1TSHRALOX15KDM4E | |
| SCHEMBL4886683 | 0.71 | ALDH1A1 (0.58) | HCAR2ALDH1A1TSHRALOX15KDM4E | |
| Terephthalic Acid SCHEMBL7099415 | 0.69 | TSHR (0.86) | ALDH1A1TSHRALOX15TP53NAPRT | |
| SCHEMBL106575 | 0.69 | — | — | |
| SCHEMBL185925 | 0.69 | — | — | |
| SCHEMBL28564115 | 0.69 | TSHR (0.46) | HCAR2ALDH1A1TSHRALOX15KDM4E | |
| SCHEMBL5593032 | 0.67 | TSHR (0.56) | HCAR2ALDH1A1TSHRALOX15KDM4E | |
| SCHEMBL28011427 | 0.67 | HCAR2 (0.95) | HCAR2ALDH1A1TSHRKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112262139-A | Aminopyrrolotriazines as kinase inhibitors | 百时美施贵宝公司 | 2021-01-22 | — | — | CN | disclosed |