Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL396681 | 0.99 | ALDH1A1 (0.32) | ALDH1A1KDM4ECA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5612504 | 0.93 | CA12 (0.33) | ALDH1A1KDM4ECA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5612620 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL5612561 | 0.89 | ALOX5 (0.33) | CA12CA1CA2CA9MAPT | |
| Hydrochloric Acid SCHEMBL5612729 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8355723 | 0.83 | ALOX15 (0.35) | ALDH1A1KDM4EHPGDMAPTALOX15 | |
| Hydrochloric Acid SCHEMBL8361873 | 0.82 | ALDH1A1 (0.35) | ALDH1A1KDM4ECA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL8460660 | 0.82 | NPC1 (0.34) | CA12CA1CA2CA9MAPT | |
| Hydrochloric Acid SCHEMBL8457975 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL5612570 | 0.82 | ALOX15 (0.31) | ALOX15HTR7 |
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-6136993-A | CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT | THE DOW CHEMICAL COMPANY (US) | 2000-10-24 | — | — | US | claimed |
| US-6136993-A | CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT | THE DOW CHEMICAL COMPANY (US) | 2000-10-24 | — | — | US | disclosed |
| US-6084115-A | METAL DIENE-CONTAINING COMPLEXES BY REACTION WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND; METALLOCENES; RACEMIC ISOMER USED TO PREPARE ISOTACTIC POLYOLEFINS, E.G., CRYSTALLINE POLYPROPYLENE. | THE DOW CHEMICAL COMPANY (US) | 2000-07-04 | — | — | US | disclosed |