Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.60 |
| ▸ | ATM | Q13315 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MME | P08473 | 2/20 | 0.51 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.51 |
| ▸ | ACE | P12821 | 1/20 | 0.51 |
| ▸ | CPA1 | P15085 | 1/20 | 0.51 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.50 |
| ▸ | PSAT1 | Q9Y617 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10197472 | 1.00 | HDAC1 (0.60) | HDAC1HDAC6ATMALDH1A1THRB | |
| SCHEMBL7450602 | 1.00 | HDAC1 (0.60) | HDAC1HDAC6ATMALDH1A1THRB | |
| SCHEMBL2734812 | 0.92 | ATM (0.63) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL8724389 | 0.92 | ATM (0.63) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL3725043 | 0.92 | ATM (0.63) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL7327532 | 0.90 | ATM (0.61) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8724387 | 0.90 | ATM (0.61) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL21184225 | 0.86 | ALDH1A1 (0.53) | HDAC1HDAC6ATMALDH1A1THRB | |
| SCHEMBL12331937 | 0.85 | MME (0.63) | MMEACE2ACECPA1SRR | |
| SCHEMBL7900074 | 0.85 | MME (0.63) | MMEACE2ACECPA1SRR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5977075-A | N-aroylamino acid amides as endothelin inhibitors | NOVARTIS AG (CH) | 1999-11-02 | — | — | US | disclosed |
| EP-0821670-A1 | N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS | Novartis AG (CH) | 1998-02-04 | — | — | EP | disclosed |
| US-5703106-A | TREATING VARIOUS CARDIOVASCULAR, UROGENITAL, BRAIN DISORDERS | JAPAT LTD. (CH) | 1997-12-30 | — | — | US | disclosed |
| EP-0753004-A1 | ANTAGONISTS OF ENDOTHELIN RECEPTORS | Japat Ltd (CH) | 1997-01-15 | — | — | EP | disclosed |
| WO-1996033170-A1 | N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS | NOVARITS AG (CH) | 1996-10-24 | — | — | WO | disclosed |
| WO-1995026360-A1 | ANTAGONISTS OF ENDOTHELIN RECEPTORS | JAPAT LTD. (CH) | 1995-10-05 | — | — | WO | disclosed |