Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCND2 | P30279 | 1/20 | 0.42 |
| ▸ | CCND3 | P30281 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.40 |
| ▸ | CASP1 | P29466 | 9/20 | 0.40 |
| ▸ | CASP7 | P55210 | 9/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.40 |
| ▸ | USP2 | O75604 | 8/20 | 0.40 |
| ▸ | GLA | P06280 | 7/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
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 SCHEMBL11056068 | 0.99 | CDK4 (0.41) | CDK4CCND1CCND2CCND3ALDH1A1 | |
| Bromide SCHEMBL11356324 | 0.99 | CDK4 (0.41) | CDK4CCND1CCND2CCND3ALDH1A1 | |
| SCHEMBL11354071 | 0.93 | CDK4 (0.38) | CDK4CCND1CCND2CCND3ALDH1A1 | |
| SCHEMBL11056764 | 0.92 | CYP1A2 (0.39) | CDK4CCND1CCND2CCND3ALDH1A1 | |
| SCHEMBL11055235 | 0.91 | FGFR1 (0.46) | CDK4CCND1CCND2CCND3ALDH1A1 | |
| SCHEMBL11056400 | 0.89 | EGFR (0.35) | ALDH1A1HPGDKCNH2CACNA1CSCN5A | |
| Hydrochloric Acid SCHEMBL11055267 | 0.87 | EGFR (0.35) | ALDH1A1HPGDKCNH2CACNA1CSCN5A | |
| SCHEMBL11052901 | 0.87 | HCAR1 (0.43) | CDK4CCND1CCND2CCND3ALDH1A1 | |
| SCHEMBL11348680 | 0.87 | MAPT (0.38) | CDK4CCND1CCND2CCND3ALDH1A1 | |
| SCHEMBL11056006 | 0.87 | KCNH2 (0.39) | ALDH1A1HPGDKCNH2CACNA1CSCN5A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4338441-A | CYCLIZATION OF AMIDINOUREA OR AMIDINOTHIOUREA WITH ACTIVE METHYLIDENE COMPOUND | WILLIAM H. RORER, INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4198408-A | 1,4-DISUBSTITUTED-1,2-DIHYDRO-1,3,5-TRIHZIN-2-ONES | WILLIAM H. RORER, INC. (US) | 1980-04-15 | — | — | US | claimed |
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4298608-A | LOCAL ANESTHETICS | WILLIAM H. RORER, INC. (US) | 1981-11-03 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4198408-A | 1,4-DISUBSTITUTED-1,2-DIHYDRO-1,3,5-TRIHZIN-2-ONES | WILLIAM H. RORER, INC. (US) | 1980-04-15 | — | — | US | disclosed |