Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | EDNRA | P25101 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 3/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Dipentylamine SCHEMBL6535854 | 0.91 | CYP1A2 (0.52) | CYP1A2CYP2C19TDP1HTTHIF1A | |
| SCHEMBL28230178 | 0.86 | CYP1A2 (0.55) | CYP1A2CYP2C19TDP1HTTHIF1A | |
| SCHEMBL21283 | 0.82 | CA2 (0.69) | CYP1A2CYP2C19TDP1HTTHIF1A | |
| SCHEMBL30362953 | 0.82 | CA2 (0.69) | CYP1A2CYP2C19TDP1HTTHIF1A | |
| SCHEMBL10344363 | 0.82 | CA2 (0.69) | CYP1A2CYP2C19TDP1HTTHIF1A | |
| SCHEMBL29429225 | 0.82 | CA2 (0.69) | CYP1A2CYP2C19TDP1HTTHIF1A | |
| Methylene Chloride SCHEMBL28518212 | 0.81 | CA2 (0.63) | CYP1A2CYP2C19TDP1HTTHIF1A | |
| SCHEMBL28444883 | 0.81 | CA2 (0.67) | CYP1A2CYP2C19TDP1HTTHIF1A | |
| SCHEMBL31040675 | 0.81 | CA2 (0.67) | CYP1A2CYP2C19TDP1HTTHIF1A | |
| Hydrochloric Acid SCHEMBL27789615 | 0.81 | CA2 (0.67) | CYP1A2CYP2C19TDP1HTTHIF1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0950114-A4 | ENCODING OF ORGANOMETALLIC LIBRARIES | SYMYX TECHNOLOGIES INC (US) | 2004-07-28 | — | — | EP | disclosed |
| US-20010053528-A1 | ENCODING OF ORGANOMETALLIC LIBRARIES | SYMYX TECHNOLOGIES, INC. | 2001-12-20 | — | — | US | disclosed |
| US-20010049090-A1 | ENCODING OF ORGANOMETALLIC LIBRARIES | SYMYX TECHNOLOGIES, INC. | 2001-12-06 | — | — | US | disclosed |
| EP-0950114-A1 | ENCODING OF ORGANOMETALLIC LIBRARIES | SYMYX TECHNOLOGIES (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1999005318-A1 | ENCODING OF ORGANOMETALLIC LIBRARIES | SYMYX TECHNOLOGIES (US) | 1999-02-04 | — | — | WO | disclosed |