Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9306820 | 0.81 | KMT2A (0.43) | CTRCKMT2AMEN1ELANEMTNR1A | |
| SCHEMBL318001 | 0.73 | DHODH (0.46) | ELANEMTNR1AMTNR1BSMN1; SMN2TP53 | |
| SCHEMBL12355752 | 0.72 | ELANE (0.41) | ELANECYP1A2MAOAMAOB | |
| SCHEMBL3954800 | 0.71 | PSMB8 (0.59) | ELANESMN1; SMN2CYP1A2MAOAMAOB | |
| SCHEMBL9306848 | 0.71 | CTRC (0.38) | CTRCKMT2AMEN1ELANESMN1; SMN2 | |
| SCHEMBL1637201 | 0.70 | CTRC (0.43) | CTRCKMT2AMEN1GPR55HTR2A | |
| SCHEMBL9307147 | 0.70 | MTNR1A (0.38) | KMT2AMEN1ELANEMTNR1AMTNR1B | |
| SCHEMBL11403614 | 0.68 | CALM1 (0.52) | CTRCKMT2AMEN1SMN1; SMN2CYP3A4 | |
| SCHEMBL1121502 | 0.68 | PSMB8 (0.40) | KMT2AELANECYP1A2MAOAMAOB | |
| SCHEMBL1463176 | 0.68 | GABRP (0.41) | ELANENPSR1MAOAMAOB |
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-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-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |