Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.55 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 13/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 6/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 6/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27502977 | 0.98 | MKNK1 (0.54) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL364159 | 0.83 | CYP2A6 (0.57) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL7425364 | 0.81 | HDAC3 (0.49) | CYP2C19CYP2C9CYP3A4CYP2D6HDAC3 | |
| SCHEMBL3046411 | 0.80 | RAB9A (0.47) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| Pyridine SCHEMBL28017964 | 0.80 | CYP2A6 (0.53) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL27503318 | 0.79 | HDAC3 (0.47) | CYP2C19CYP2C9CYP3A4CYP2D6HDAC3 | |
| SCHEMBL29854440 | 0.78 | CYP2A6 (0.73) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 | |
| SCHEMBL7423572 | 0.76 | MKNK1 (0.41) | MKNK1MKNK2CYP2A6CNR1 | |
| SCHEMBL7054825 | 0.76 | RAB9A (0.51) | HDAC1HDAC6ALDH1A1CYP1A2CA12 | |
| SCHEMBL7213572 | 0.74 | DYRK1A (0.58) | MKNK1MKNK2CYP2A6CYP2C19CYP2C9 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1244798-A | Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds | RHONE POULENC RORER PHARMA (US) | 2000-02-16 | — | — | CN | claimed |
| CN-1418882-A | Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds | AVENTIS PHARMACENEITCALS INC (US) | 2003-05-21 | — | — | CN | disclosed |
| CN-1093856-C | Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds | AVENTIS PHARM PROD INC (US) | 2002-11-06 | — | — | CN | disclosed |
| 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 |
| CN-1244798-A | Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds | RHONE POULENC RORER PHARMA (US) | 2000-02-16 | — | — | CN | disclosed |
| CN-1213370-A | Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds | RHONE POULENC RORER PHAMACEUTI (US) | 1999-04-07 | — | — | CN | 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 |