Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PRCP | P42785 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL9041784 | 0.86 | CYP3A4 (0.56) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL7139038 | 0.82 | POLB (0.46) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL7141678 | 0.81 | KMT2A (0.47) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL7135121 | 0.80 | KMT2A (0.48) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL7150573 | 0.80 | OPRM1 (0.54) | CTRB1 | |
| SCHEMBL7142755 | 0.79 | POLB (0.45) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL7147062 | 0.78 | TSHR (0.49) | CYP3A4TSHRPOLBKMT2ACTRB1 | |
| SCHEMBL7138326 | 0.77 | KMT2A (0.47) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL7144609 | 0.77 | KMT2A (0.53) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL7148259 | 0.76 | CTRB1 (0.54) | TSHRPOLBKMT2ACTRB1KDM4E |
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-1303485-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002006222-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | disclosed |