Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.63 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.61 |
| ▸ | CDK9 | P50750 | 1/20 | 0.61 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9425109 | 0.87 | PTGS2 (0.66) | CASP3SENP7SMN1; SMN2TSHRKMT2A | |
| SCHEMBL4117858 | 0.85 | RAB9A (0.67) | CASP3SENP7SMN1; SMN2EPHX1TP53 | |
| SCHEMBL7479983 | 0.83 | NR1H4 (0.59) | SMN1; SMN2TSHRKMT2APTGS2MAPT | |
| SCHEMBL297860 | 0.83 | NR1H4 (0.73) | SMN1; SMN2NPC1RAB9AKMT2APTGS2 | |
| SCHEMBL8579300 | 0.83 | NR1H4 (0.73) | SMN1; SMN2NPC1RAB9AKMT2APTGS2 | |
| SCHEMBL29142718 | 0.82 | SMN1; SMN2 (0.61) | CASP3SENP7SMN1; SMN2EPHX1TP53 | |
| SCHEMBL9823526 | 0.81 | POLB (0.58) | SMN1; SMN2TSHRTAAR1NPC1RAB9A | |
| Diphenylamine SCHEMBL2784540 | 0.81 | PTGS2 (0.62) | CASP3SENP7SMN1; SMN2TSHRKMT2A | |
| SCHEMBL11059378 | 0.80 | SMN1; SMN2 (0.94) | CASP3SENP7SMN1; SMN2EPHX1TP53 | |
| SCHEMBL2172516 | 0.80 | KIF11 (0.64) | TSHRNPC1KMT2APTGS2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1042279-B1 | SUBSTITUTED BETA-ALANINES | AVENTIS PHARMA LTD (GB) | 2005-03-02 | — | — | EP | disclosed |
| US-6352977-B1 | ALANINE WITH PRODRUGS | AVENTIS PHARMA LIMITED (GB) | 2002-03-05 | — | — | US | disclosed |
| EP-1042279-A1 | SUBSTITUTED BETA-ALANINES | Aventis Pharma Limited (GB) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033789-A1 | SUBSTITUTED β-ALANINES | AVENTIS PHARMA LIMITED (GB) | 1999-07-08 | — | — | WO | disclosed |