Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | BCKDK | O14874 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7426046 | 0.84 | CYP2C9 (0.35) | ALDH1A1CA2CA1CA9BCKDK | |
| SCHEMBL3019640 | 0.76 | HDAC3 (0.49) | ALDH1A1CA2MCL1 | |
| SCHEMBL9560245 | 0.71 | ALDH1A1 (0.39) | ALDH1A1BCKDKMCL1RXFP1 | |
| SCHEMBL791131 | 0.70 | CA2 (0.46) | CA2 | |
| SCHEMBL7537976 | 0.68 | ALDH1A1 (0.37) | ALDH1A1BCKDKMCL1RXFP1 | |
| SCHEMBL181647 | 0.68 | ALDH1A1 (0.43) | ALDH1A1CA2CA1CA9 | |
| SCHEMBL4472310 | 0.68 | F10 (0.39) | — | |
| SCHEMBL742144 | 0.67 | PTGES2 (0.42) | — | |
| SCHEMBL7532031 | 0.67 | HTR6 (0.40) | ALDH1A1CA2CA1CA9 | |
| SCHEMBL1774954 | 0.67 | F10 (0.38) | CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0894088-A4 | SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE POULENC RORER PHARMA (US) | 2001-12-05 | — | — | EP | disclosed |
| US-6034093-A | Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0894088-A1 | SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1999-02-03 | — | — | EP | disclosed |
| WO-1998024784-A1 | SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-06-11 | — | — | WO | disclosed |
| US-5731315-A | Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-03-24 | — | — | US | disclosed |