Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11259675 | 1.00 | AKR1C3 (0.38) | AKR1C3CES2CES1NAPRTHSD17B10 | |
| SCHEMBL4973930 | 0.81 | TDP1 (0.45) | CES2CES1NAPRTHSD17B10CYP3A4 | |
| SCHEMBL7113981 | 0.81 | TDP1 (0.45) | CES2CES1NAPRTHSD17B10CYP3A4 | |
| SCHEMBL5034105 | 0.77 | CES2 (0.42) | AKR1C3CES2CES1NAPRTHSD17B10 | |
| SCHEMBL16099734 | 0.74 | CES2 (0.41) | CES2CES1HTTCYP3A4MAPT | |
| SCHEMBL8859112 | 0.72 | CYP3A4 (0.41) | CES2CES1NAPRTHSD17B10CYP3A4 | |
| SCHEMBL8666770 | 0.72 | CYP3A4 (0.41) | CES2CES1NAPRTHSD17B10CYP3A4 | |
| SCHEMBL6935690 | 0.71 | ESR1 (0.42) | CES2CES1NAPRTCYP3A4TDP1 | |
| SCHEMBL4821057 | 0.71 | CYP3A4 (0.45) | CES2CES1NAPRTHSD17B10CYP3A4 | |
| SCHEMBL7532752 | 0.71 | CYP3A4 (0.45) | CES2CES1NAPRTHSD17B10CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4317936-A | CATIONIC OR ANIONIC ION EXCHANGE RESINS MODIFIED BY A GROUP 8 METAL AND A HETRATOM-CONTAINING COMPOUND | SHELL OIL COMPANY (US) | 1982-03-02 | — | — | US | disclosed |
| US-4306085-A | Hydroformylation process using resin-ligand-metal catalyst | SHELL OIL COMPANY (US) | 1981-12-15 | — | — | US | disclosed |
| EP-0002557-B1 | RESIN-LIGAND TRANSITION METAL COMPLEX COMPOSITION AND PROCESSES FOR USING THIS COMPOSITION AS CATALYST | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-09-23 | — | — | EP | disclosed |
| US-4284835-A | METAL COMPLEX CATALYST BOUND TO RESIN | SHELL OIL COMPANY (US) | 1981-08-18 | — | — | US | disclosed |
| US-4266085-A | Olefin disproportionation process | SHELL OIL COMPANY (US) | 1981-05-05 | — | — | US | disclosed |
| US-4179402-A | Resin-metal-ligand composition | SHELL OIL COMPANY (US) | 1979-12-18 | — | — | US | disclosed |
| US-4179403-A | Resin-ligand-metal complex compositions | SHELL OIL COMPANY (US) | 1979-12-18 | — | — | US | disclosed |
| EP-0002557-A2 | Resin-ligand transition metal complex composition and processes for using this composition as catalyst | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1979-06-27 | — | — | EP | disclosed |