Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3697210 | 1.00 | AKR1C1 (0.47) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL391037 | 0.86 | AKR1C1 (0.44) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL2137459 | 0.83 | TDP1 (0.41) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL525212 | 0.81 | AKR1C1 (0.53) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL29246413 | 0.73 | AKR1C1 (0.53) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL348321 | 0.73 | AKR1C1 (0.53) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL7146890 | 0.73 | AKR1C1 (0.53) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL3039302 | 0.73 | AKR1C1 (0.53) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL3039305 | 0.73 | AKR1C1 (0.53) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL367696 | 0.72 | AKR1C1 (0.61) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5338802-A | Low temperature conversion of polymerized esters | SHELL OIL COMPANY (US) | 1994-08-16 | — | — | US | disclosed |
| EP-0603965-A2 | Modified block copolymers and process for the preparation thereof | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1994-06-29 | — | — | EP | disclosed |
| EP-0569100-A1 | Polymers having stable anhydride rings | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-11-10 | — | — | EP | disclosed |
| US-5218053-A | Anionically polymerizing conjugated alkadienes or alkenyl aromatics and an unsaturated ester; hydrogenating; heating to cyclize | SHELL OIL COMPANY (US) | 1993-06-08 | — | — | US | disclosed |