Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7721622 | 0.98 | ALDH1A1 (0.57) | ALDH1A1KMT2ALTA4HCA1CA2 | |
| SCHEMBL6831671 | 0.91 | ALDH1A1 (0.65) | ALDH1A1KMT2ASMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL2938207 | 0.91 | ALDH1A1 (0.69) | ALDH1A1KMT2ALTA4HSMN1; SMN2NPSR1 | |
| SCHEMBL7721679 | 0.88 | ALDH1A1 (0.57) | ALDH1A1KMT2ASMN1; SMN2NPSR1MEN1 | |
| SCHEMBL12072934 | 0.87 | ALDH1A1 (0.61) | ALDH1A1KMT2ASMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL7720923 | 0.84 | CA1 (0.50) | ALDH1A1KMT2ACA1CA2MEN1 | |
| SCHEMBL31688904 | 0.84 | CA1 (0.49) | ALDH1A1KMT2ACA1CA2MEN1 | |
| SCHEMBL1981483 | 0.83 | MEN1 (0.68) | ALDH1A1KMT2ALTA4HCA1CA2 | |
| SCHEMBL3503996 | 0.82 | ALDH1A1 (0.81) | ALDH1A1KMT2ASMN1; SMN2NPSR1EPHX2 | |
| SCHEMBL24178010 | 0.82 | ALDH1A1 (0.59) | ALDH1A1KMT2ASMN1; SMN2NPSR1MEN1 |
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-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 |