Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4935212 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL4920144 | 0.68 | CYP1A2 (0.54) | CYP1A2CYP1A1CYP1B1KDM4EHPGD | |
| SCHEMBL17237785 | 0.68 | — | — | |
| SCHEMBL7875475 | 0.65 | GAA (0.43) | CYP1A2CYP1A1CYP1B1CYP3A4KDM4E | |
| SCHEMBL7899553 | 0.63 | CYP1A2 (0.32) | CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL18579572 | 0.62 | CYP1A2 (0.43) | CYP1A2CYP1A1CYP1B1KDM4EHPGD | |
| SCHEMBL29207958 | 0.61 | CYP1A2 (0.58) | CYP1A2CYP1A1CYP1B1CYP3A4KDM4E | |
| SCHEMBL5940642 | 0.61 | CYP1A2 (0.54) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 | |
| SCHEMBL6629828 | 0.60 | CYP1A2 (0.47) | CYP1A2CYP1A1CYP1B1CYP3A4MAOA | |
| SCHEMBL4536799 | 0.58 | CYP2B6 (0.47) | CYP1A2CYP1A1CYP1B1CYP3A4KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1143952-A3 | METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS | Sarawak Medichem Pharmaceuticals Inc. (US) | 2002-09-11 | — | — | EP | disclosed |
| EP-1143952-A2 | METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS | Sarawak Medichem Pharmaceuticals Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000021514-A2 | METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS | SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) | 2000-04-20 | — | — | WO | disclosed |