Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.54 |
| ▸ | TDO2 | P48775 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL50546 | 0.86 | IDO1 (0.56) | IDO1TDO2CA12CA1CA2 | |
| SCHEMBL19382614 | 0.80 | CYP1A2 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2614745 | 0.80 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10823084 | 0.78 | ALDH1A1 (0.55) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL1742563 | 0.78 | KDM4E (0.46) | IDO1TDO2MAPTALDH1A1KDM4E | |
| SCHEMBL28136342 | 0.78 | ESR2 (0.51) | CA12CA1CA7CA9CYP1A2 | |
| SCHEMBL8154614 | 0.78 | IDO1 (0.55) | IDO1TDO2MAPTMEN1ALDH1A1 | |
| SCHEMBL8518991 | 0.78 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29137562 | 0.78 | CYP11B1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13456015 | 0.78 | CA12 (0.52) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1136198-C | Novel benzyl pyrimidines | ��������ҩ�ɷ�����˾ | 2004-01-28 | — | — | CN | disclosed |
| EP-0793656-B1 | NOVEL BENZYL PYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-5763450-A | BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| CN-1166831-A | Novel benzyl pyrimidines | HOFFMANN LA ROCHE (CH) | 1997-12-03 | — | — | CN | disclosed |
| US-4115216-A | QUARTERNARY AMMONIUM COMPOUNDS | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-09-19 | — | — | US | disclosed |