Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.32 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27487793 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CES1CES2TSHRFAAH | |
| SCHEMBL10816262 | 0.76 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL27306760 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CES1CES2TP53CA1 | |
| SCHEMBL568962 | 0.74 | ALDH1A1 (0.73) | ALDH1A1CES1CES2TSHRFAAH | |
| SCHEMBL27796845 | 0.74 | ALDH1A1 (0.55) | ALDH1A1FAAHCA1LMNACYP1A2 | |
| SCHEMBL4243964 | 0.73 | ALDH1A1 (0.70) | ALDH1A1CES1CES2TSHRFAAH | |
| SCHEMBL11564777 | 0.73 | ALDH1A1 (0.70) | ALDH1A1CES1CES2TSHRFAAH | |
| SCHEMBL30763459 | 0.73 | ALDH1A1 (0.70) | ALDH1A1CES1CES2TSHRFAAH | |
| SCHEMBL570411 | 0.73 | ALDH1A1 (0.70) | ALDH1A1CES1CES2TSHRFAAH | |
| SCHEMBL4245319 | 0.73 | ALDH1A1 (0.70) | ALDH1A1CES1CES2TSHRFAAH |
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-2051962-A1 | (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008017989-A1 | (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-02-14 | — | — | WO | disclosed |