Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 1/20 | 0.53 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 5/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2328119 | 0.86 | GAA (0.54) | CYP26A1CTRB1RAB9AALDH1A1LMNA | |
| SCHEMBL2328123 | 0.86 | GAA (0.54) | CYP26A1CTRB1RAB9AALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL23152568 | 0.85 | GAA (0.53) | CYP26A1CTRB1RAB9AALDH1A1LMNA | |
| SCHEMBL27808603 | 0.84 | CTSL (0.65) | RAB9AALDH1A1LMNACTSLCTSS | |
| SCHEMBL27808602 | 0.84 | CTSL (0.65) | RAB9AALDH1A1LMNACTSLCTSS | |
| SCHEMBL29809741 | 0.84 | ECE1 (0.53) | CYP26A1RAB9ANPC1HTTSMN1; SMN2 | |
| SCHEMBL7611432 | 0.80 | CYP26A1 (0.48) | CYP26A1CTRB1RAB9ANPC1HTT | |
| SCHEMBL3697206 | 0.80 | CYP26A1 (0.48) | CYP26A1CTRB1RAB9ANPC1HTT | |
| SCHEMBL989155 | 0.79 | CA2 (0.65) | CTRB1SMN1; SMN2KDM4EMAPTGAA | |
| SCHEMBL3447634 | 0.79 | CA2 (0.65) | CTRB1SMN1; SMN2KDM4EMAPTGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012065102-A2 | S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS | PROMENTIS PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |