Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | DHFR | P00374 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | FBP1 | P09467 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL107968 | 1.00 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 | |
| Stearylsulfamide SCHEMBL17981340 | 1.00 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 | |
| Stearylsulfamide SCHEMBL15335 | 1.00 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 | |
| Stearylsulfamide SCHEMBL2714792 | 0.99 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 | |
| Stearylsulfamide SCHEMBL4663113 | 0.99 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 | |
| Stearylsulfamide SCHEMBL1392023 | 0.99 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 | |
| Stearylsulfamide SCHEMBL9070453 | 0.99 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 | |
| Stearylsulfamide SCHEMBL322075 | 0.99 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 | |
| Stearylsulfamide SCHEMBL2367792 | 0.99 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 | |
| Stearylsulfamide SCHEMBL7583057 | 0.99 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1DHFRSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1624897-A2 | HIV PRODRUGS CLEAVABLE BY CD26 | Tibotec Pharmaceuticals Ltd. (IE) | 2006-02-15 | — | — | EP | disclosed |
| WO-2004099135-A2 | HIV PRODRUGS CLEAVABLE BY CD26 | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2004-11-18 | — | — | WO | disclosed |