Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BHMT | Q93088 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | MVD | P53602 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7720625 | 0.98 | CYP2D6 (0.46) | CYP2D6HIF1AHSD17B10GMNNTP53 | |
| SCHEMBL31579407 | 0.88 | CYP2D6 (0.55) | CYP2D6HIF1AHSD17B10GMNNTP53 | |
| SCHEMBL7721748 | 0.82 | LMNA (0.64) | HSD17B10TDP1LMNAKMT2ABHMT | |
| SCHEMBL5566705 | 0.80 | TSHR (0.54) | HSD17B10GMNNTP53POLBMAPT | |
| SCHEMBL8024597 | 0.80 | CYP2D6 (0.46) | CYP2D6HIF1AHSD17B10GMNNTP53 | |
| SCHEMBL2185204 | 0.78 | TSHR (0.52) | HSD17B10TDP1LMNAKMT2ABHMT | |
| SCHEMBL1251621 | 0.78 | LMNA (0.41) | CYP2D6HSD17B10THRBBLMTDP1 | |
| SCHEMBL7719757 | 0.77 | BHMT (0.49) | CYP2D6HSD17B10MAPTTDP1LMNA | |
| SCHEMBL9445941 | 0.75 | LMNA (0.33) | HSD17B10BLMTDP1LMNAKMT2A | |
| SCHEMBL161464 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6395930-B1 | AMINE SULFIDE PHOSPHATE OR SULFATE REAGENTS | WARNER LAMBERT | 2002-05-28 | — | — | US | claimed |
| US-6417396-B1 | BY-PRODUCT INHIBITION; REACTING ORGANIC ALKALI OR ALKALINE EARTH METAL CARBOXYLATE, PHOSPHONATE, OR SULFONATE; ACYLATION, PHOSPHORYLATION, SULFONATION, AMIDATION, ALKYLATION, CYCLIZATION, OR CONDENSATION | Lambert, Warner | 2002-07-09 | — | — | US | disclosed |
| US-6395930-B1 | AMINE SULFIDE PHOSPHATE OR SULFATE REAGENTS | WARNER LAMBERT | 2002-05-28 | — | — | US | disclosed |
| US-6121488-A | Quenching reagents for solution phase synthesis | WARNER-LAMBERT COMPANY (US) | 2000-09-19 | — | — | US | disclosed |