Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 7/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7445138 | 0.80 | TSHR (0.49) | S1PR1S1PR4S1PR3S1PR5ESR1 | |
| SCHEMBL5262277 | 0.75 | TSHR (0.38) | ESR1TSHRCYP3A4LMNACYP1A2 | |
| SCHEMBL7356658 | 0.69 | CES2 (0.36) | CYP1A2CYP2C19ALDH1A1THRB | |
| SCHEMBL27596964 | 0.69 | ALDH1A1 (0.42) | S1PR1S1PR4S1PR3S1PR5TSHR | |
| SCHEMBL3412121 | 0.68 | ALDH1A1 (0.52) | ESR1TSHRCYP3A4LMNACYP1A2 | |
| SCHEMBL30309035 | 0.67 | ALDH1A1 (0.44) | ESR1TSHRCYP3A4LMNACYP1A2 | |
| SCHEMBL18464342 | 0.67 | ESR1 (0.65) | ESR1TSHRCYP3A4LMNACYP1A2 | |
| SCHEMBL27315973 | 0.67 | PIN1 (0.47) | TSHRCYP2C19ALDH1A1HSD17B10THRB | |
| SCHEMBL28137293 | 0.67 | TSHR (0.51) | TSHRCYP3A4LMNACYP1A2CYP2C19 | |
| SCHEMBL17848879 | 0.67 | ALDH1A1 (0.47) | TSHRCYP3A4ALDH1A1TDP1L3MBTL1 |
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-1789388-A2 | METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS | Elan Pharmaceuticals, Inc. (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006026532-A2 | METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2006-03-09 | — | — | WO | disclosed |