Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2476976 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TSHRGLATP53LMNA | |
| SCHEMBL20878111 | 0.78 | SLC6A2 (0.43) | ALDH1A1TSHRGLATP53LMNA | |
| SCHEMBL19896405 | 0.78 | AOC3 (0.40) | ALDH1A1TSHRGLATP53LMNA | |
| SCHEMBL20150135 | 0.78 | TP53 (0.39) | ALDH1A1TSHRGLATP53LMNA | |
| SCHEMBL17046026 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TSHRGLATP53LMNA | |
| SCHEMBL8020762 | 0.76 | ALDH1A1 (0.38) | ALDH1A1TSHRGLATP53LMNA | |
| SCHEMBL1408150 | 0.76 | LMNA (0.46) | ALDH1A1TSHRGLATP53LMNA | |
| SCHEMBL23987576 | 0.73 | MEN1 (0.36) | ALDH1A1TP53LMNAMAPTHTT | |
| SCHEMBL28501660 | 0.73 | MAPT (0.38) | ALDH1A1MAPTHTTGAAALOX12 | |
| Butane SCHEMBL28208271 | 0.73 | ALDH1A1 (0.55) | ALDH1A1TSHRGLATP53MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2989130-A1 | PYRIDYLDIAMIDE METAL CATALYSTS AND PROCESSES TO PRODUCE POLYOLEFINS | ExxonMobil Chemical Patents Inc. (US) | 2016-03-02 | — | — | EP | disclosed |
| WO-2014176187-A1 | PYRIDYLDIAMIDE METAL CATALYSTS AND PROCESSES TO PRODUCE POLYOLEFINS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2014-10-30 | — | — | WO | disclosed |