Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18406133 | 0.91 | KDM4E (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL18412682 | 0.91 | KDM4E (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL492442 | 0.88 | KDM4E (0.44) | CYP1A2KDM4EGAALMNAHTT | |
| Hydrochloric Acid SCHEMBL492359 | 0.86 | KDM4E (0.42) | CYP1A2KDM4EGAALMNAHTT | |
| Hydrochloric Acid SCHEMBL492457 | 0.86 | KDM4E (0.42) | CYP1A2KDM4EGAALMNAHTT | |
| Hydrochloric Acid SCHEMBL492668 | 0.86 | KDM4E (0.42) | CYP1A2KDM4EGAALMNAHTT | |
| Hydrochloric Acid SCHEMBL492462 | 0.86 | KDM4E (0.42) | CYP1A2KDM4EGAALMNAHTT | |
| SCHEMBL4575603 | 0.86 | KDM4E (0.42) | CYP1A2KDM4EGAALMNAHTT | |
| Bromide SCHEMBL492578 | 0.84 | KDM4E (0.41) | CYP1A2KDM4EGAALMNAHTT | |
| Iodide SCHEMBL492902 | 0.84 | KDM4E (0.41) | CYP1A2KDM4EGAALMNAHTT |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0441447-B1 | Carbonylation catalyst process | SHELL INT RESEARCH (NL) | 1994-11-30 | — | — | EP | disclosed |
| EP-0441446-B1 | Carbonylation catalyst system | SHELL INT RESEARCH (NL) | 1994-05-04 | — | — | EP | disclosed |
| EP-0441445-B1 | Preparation of amides | SHELL INT RESEARCH (NL) | 1994-05-04 | — | — | EP | disclosed |
| EP-0386834-B1 | CARBONYLATION CATALYST SYSTEM | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-02-03 | — | — | EP | disclosed |
| US-5179225-A | Reaction of acetylenic or olefinic compound with carbon monoxide | SHELL OIL COMPANY (US) | 1993-01-12 | — | — | US | disclosed |
| US-5166116-A | Coordination catalysts of phosphine, group 8 metal, protons and sulfonate | SHELL OIL COMPANY (US) | 1992-11-24 | — | — | US | disclosed |
| US-5166411-A | Group 8 metal, a phosphine, a proton source and a tertiary amine | SHELL OIL COMPANY (US) | 1992-11-24 | — | — | US | disclosed |
| US-5128475-A | PREPARATION OF AMIDES | SHELL OIL COMPANY (US) | 1992-07-07 | — | — | US | disclosed |
| US-5124300-A | Group 8 metal, aromatic phosphine, proton source, tertiary amine | SHELL OIL COMPANY (US) | 1992-06-23 | — | — | US | disclosed |
| US-5103043-A | CARBONYLATION CATALYST SYSTEM | SHELL OIL COMPANY (US) | 1992-04-07 | — | — | US | disclosed |
| EP-0441446-A1 | Carbonylation catalyst system | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-08-14 | — | — | EP | disclosed |
| EP-0441447-A1 | Carbonylation catalyst process | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-08-14 | — | — | EP | disclosed |
| EP-0441445-A2 | Preparation of amides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-08-14 | — | — | EP | disclosed |
| US-5028576-A | Carbonylation catalyst system | SHELL OIL COMPANY (US) | 1991-07-02 | — | — | US | disclosed |
| EP-0423866-A1 | Phosphorous compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-04-24 | — | — | EP | disclosed |
| EP-0386834-A1 | Carbonylation catalyst system | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-09-12 | — | — | EP | disclosed |