Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.31 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL15040910 | 0.77 | CYP1A2 (0.37) | CYP1A2TP53ALDH1A1GABRR1RNPEP | |
| SCHEMBL1572639 | 0.77 | CYP1A2 (0.37) | CYP1A2TP53ALDH1A1GABRR1RNPEP | |
| SCHEMBL7960610 | 0.75 | HMGCR (0.46) | CYP1A2TP53TSHR | |
| SCHEMBL10954165 | 0.75 | CYP1A2 (0.36) | CYP1A2TP53ALDH1A1TSHRGABRR1 | |
| Ammonia Solution, Strong SCHEMBL8858444 | 0.73 | HMGCR (0.44) | CYP1A2TP53TSHR | |
| SCHEMBL5517726 | 0.73 | FFAR1 (0.43) | CYP1A2TP53 | |
| Ammonia Solution, Strong SCHEMBL8858449 | 0.73 | HMGCR (0.44) | CYP1A2TP53TSHR | |
| SCHEMBL16331317 | 0.73 | ADRA1A (0.37) | CYP1A2TP53ALDH1A1TSHR | |
| SCHEMBL21052347 | 0.71 | CYP1A2 (0.48) | CYP1A2ALDH1A1 | |
| SCHEMBL19262058 | 0.71 | CYP1A2 (0.33) | CYP1A2TP53SLC7A5 |
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-0853618-B1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARMA INC (US) | 2011-08-17 | — | — | EP | disclosed |
| EP-0853618-A4 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE POULENC RORER PHARMA (US) | 2000-03-15 | — | — | EP | disclosed |
| US-5958918-A | Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds | RHONE-POULENC RORER PHARMACEUTICALS INC. | 1999-09-28 | — | — | US | disclosed |
| EP-0853618-A1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1998-07-22 | — | — | EP | disclosed |
| WO-1996040679-A1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) | 1996-12-19 | — | — | WO | disclosed |