Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 6/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15732397 | 0.81 | ALDH1A1 (0.42) | TAAR1ALDH1A1TSHRKIF11IDO1 | |
| SCHEMBL15658501 | 0.81 | ALDH1A1 (0.42) | TAAR1ALDH1A1TSHRKIF11IDO1 | |
| SCHEMBL12986502 | 0.77 | TACR1 (0.38) | ALDH1A1TSHRIDO1LMNACYP3A4 | |
| SCHEMBL15659988 | 0.77 | TAAR1 (0.39) | TAAR1ALDH1A1TSHRKIF11IDO1 | |
| SCHEMBL15658982 | 0.77 | TAAR1 (0.39) | TAAR1ALDH1A1TSHRKIF11IDO1 | |
| SCHEMBL6429487 | 0.72 | CES2 (0.38) | TAAR1ALDH1A1TSHRKIF11IDO1 | |
| SCHEMBL9516172 | 0.72 | ALDH1A1 (0.44) | TAAR1ALDH1A1TSHRKIF11IDO1 | |
| SCHEMBL5444014 | 0.72 | TAAR1 (0.35) | TAAR1ALDH1A1TSHRKIF11IDO1 | |
| SCHEMBL28735518 | 0.72 | TAAR1 (0.35) | TAAR1ALDH1A1TSHRKIF11IDO1 | |
| SCHEMBL3817848 | 0.72 | ALDH1A1 (0.39) | TAAR1ALDH1A1TSHRKIF11IDO1 |
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-0646590-B1 | Ferrocenyldiphosphines substituted with fluoroalkyl groups as ligands for homogeneous catalysts | NOVARTIS AG (CH) | 1999-08-25 | — | — | EP | claimed |
| CN-107074675-B | Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol | 四川海思科制药有限公司 | 2019-12-20 | — | — | CN | disclosed |