Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8091800 | 0.88 | KIF11 (0.46) | EDNRAALDH1A1TSHRLMNAKIF11 | |
| SCHEMBL7936594 | 0.75 | KMT2A (0.45) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL7937232 | 0.72 | KDM4E (0.44) | EDNRAALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL7937196 | 0.69 | EDNRB (0.49) | EDNRA | |
| SCHEMBL7394832 | 0.68 | SMN1; SMN2 (0.48) | EDNRAALDH1A1TSHRNPC1RAB9A | |
| SCHEMBL16697795 | 0.67 | RAB9A (0.47) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL16697151 | 0.67 | RAB9A (0.47) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL1746047 | 0.67 | PTGS2 (0.56) | EDNRAALDH1A1MEN1KMT2ATAS1R3 | |
| SCHEMBL9459877 | 0.66 | GSTP1 (0.47) | ALDH1A1TSHRLMNANPC1RAB9A | |
| SCHEMBL7934306 | 0.66 | EDNRB (0.46) | EDNRAALDH1A1TSHRLMNAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6235903-B1 | Method for preparing sulfanyl-type endothelin receptor antagonists | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-22 | — | — | US | disclosed |