Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 11/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | ACP1 | P24666 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9307717 | 0.85 | MEN1 (0.58) | MAPTALDH1A1TSHRKMT2AMEN1 | |
| SCHEMBL8971602 | 0.83 | PDK1 (0.60) | PDK1MAPTALDH1A1CYP3A4TSHR | |
| SCHEMBL14959213 | 0.82 | PDK1 (0.68) | PDK1MAPTALDH1A1CYP3A4TSHR | |
| SCHEMBL9443075 | 0.80 | PPARA (0.56) | CYP3A4CYP1A2KMT2AMEN1LMNA | |
| SCHEMBL8972076 | 0.80 | ALDH1A1 (0.61) | MAPTALDH1A1CYP3A4TSHRCYP1A2 | |
| Ammonia Solution, Strong SCHEMBL10895431 | 0.79 | ALDH1A1 (0.60) | MAPTALDH1A1CYP3A4TSHRCYP1A2 | |
| Ammonia Solution, Strong SCHEMBL10597225 | 0.79 | ALDH1A1 (0.60) | MAPTALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL10890573 | 0.79 | ALDH1A1 (0.60) | MAPTALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL10890577 | 0.79 | ALDH1A1 (0.60) | MAPTALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL10892449 | 0.79 | ALDH1A1 (0.60) | MAPTALDH1A1CYP3A4TSHRCYP1A2 |
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-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-B1 | HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS | CIBA-GEIGY AG (CH) | 1991-03-06 | — | — | EP | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |