Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.39 |
| ▸ | BCR | P11274 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9138875 | 0.85 | ALDH1A1 (0.49) | TSHRALDH1A1CYP2D6MAPTKDM4E | |
| SCHEMBL672403 | 0.85 | ALDH1A1 (0.49) | ALDH1A1CYP2D6MAPTKDM4EMAPK1 | |
| SCHEMBL29519283 | 0.85 | ALDH1A1 (0.49) | ALDH1A1CYP2D6MAPTKDM4EMAPK1 | |
| SCHEMBL3073523 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP2D6MAPTKDM4EMAPK1 | |
| SCHEMBL30385788 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP2D6MAPTKDM4EMAPK1 | |
| SCHEMBL279049 | 0.81 | ALDH1A1 (0.50) | TSHRALDH1A1CYP2D6MAPTKDM4E | |
| SCHEMBL15286114 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP2D6MAPTKDM4EMAPK1 | |
| SCHEMBL278730 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP2D6MAPTKDM4EMAPK1 | |
| SCHEMBL12509542 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP2D6MAPTKDM4EMAPK1 | |
| SCHEMBL3903310 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP2D6MAPTKDM4EMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1549632-A4 | NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS | DIMENSIONAL PHARM INC (US) | 2005-11-09 | — | — | EP | disclosed |
| EP-1549632-A1 | NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2005-07-06 | — | — | EP | disclosed |
| WO-2003099805-A1 | NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2003-12-04 | — | — | WO | disclosed |