Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Ether SCHEMBL10963992 | 0.90 | GPR35 (0.42) | GPR35CA1CA2CA12CA9 | |
| SCHEMBL9658489 | 0.80 | DTYMK (0.51) | VCAM1TSHRALDH1A1POLBLMNA | |
| SCHEMBL10924983 | 0.80 | ALDH1A1 (0.46) | VCAM1SIRT6CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL11876416 | 0.80 | GPR35 (0.56) | GPR35CA1CA2CA12CA9 | |
| SCHEMBL10401893 | 0.79 | VCAM1 (0.64) | VCAM1ALDH1A1 | |
| SCHEMBL10423505 | 0.79 | ALDH1A1 (0.60) | GPR35CA1CA2CA12CA9 | |
| SCHEMBL26686794 | 0.77 | GPR35 (0.53) | GPR35CA1CA2CA12CA9 | |
| SCHEMBL10915552 | 0.75 | GPR35 (0.51) | GPR35CA1CA2CA12CA9 | |
| Methoxymethane SCHEMBL10925653 | 0.75 | ALOX15 (0.42) | GPR35CA1CA2CA12CA9 | |
| SCHEMBL4319781 | 0.75 | GPR35 (0.55) | GPR35SIRT6HPGDCYP3A4TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4613704-A | SULFING, OXIDATION, REDUCTION | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-09-23 | — | — | US | claimed |
| US-4613704-A | SULFING, OXIDATION, REDUCTION | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-09-23 | — | — | US | disclosed |
| US-4613704-A | SULFING, OXIDATION, REDUCTION | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-09-23 | — | — | US | disclosed |