Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 SCHEMBL7722654 | 0.98 | LIG1 (0.56) | LIG1KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL17439057 | 0.85 | LIG1 (0.47) | LIG1KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL3798396 | 0.83 | KDM4E (0.71) | LIG1KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL3219478 | 0.80 | LIG1 (0.68) | LIG1KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL30997962 | 0.80 | LIG1 (0.55) | LIG1KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL9696302 | 0.79 | LIG1 (0.71) | LIG1KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL9857038 | 0.78 | LMNA (0.51) | KDM4ECYP3A4ALDH1A1LMNAHTT | |
| SCHEMBL40310 | 0.77 | LIG1 (0.69) | LIG1KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL9474674 | 0.77 | LIG1 (0.59) | LIG1KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL29519569 | 0.77 | LIG1 (0.69) | LIG1KDM4ETSHRHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6391885-B1 | CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE | CELL PATHWAYS, INC. | 2002-05-21 | — | — | US | disclosed |
| US-6060477-A | Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives | CELL PATHWAYS, INC. (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0351058-B1 | PYRIMIDOPYRIMIDINE DERIVATIVES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |
| US-5162316-A | Pyrimido[4,5-d]pyrimidine derivatives for use as bronchodilators | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-11-10 | — | — | US | disclosed |
| EP-0351058-A1 | Pyrimidopyrimidine derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-01-17 | — | — | EP | disclosed |