Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TSPO | P30536 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL24786211 | 0.78 | TSHR (0.41) | ALDH1A1HPGDTSHRPDK2CA1 | |
| SCHEMBL24108195 | 0.77 | ALDH1A1 (0.38) | ALDH1A1HPGDFFAR1FFAR4CYP19A1 | |
| SCHEMBL30409781 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDFFAR1FFAR4CYP19A1 | |
| SCHEMBL820195 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDFFAR1FFAR4CYP19A1 | |
| SCHEMBL22904169 | 0.73 | MPO (0.39) | HPGDTSHRMAPTPDK2CA1 | |
| SCHEMBL24108467 | 0.73 | ALDH1A1 (0.38) | ALDH1A1HPGDFFAR1FFAR4CYP19A1 | |
| SCHEMBL3933757 | 0.73 | TSHR (0.43) | ALDH1A1HPGDFFAR1FFAR4CYP19A1 | |
| SCHEMBL1759451 | 0.71 | CYP19A1 (0.46) | ALDH1A1HPGDFFAR1CYP19A1TSHR | |
| SCHEMBL15898401 | 0.69 | TSHR (0.43) | ALDH1A1CYP19A1TSHRMAPTSMN1; SMN2 | |
| SCHEMBL12490313 | 0.69 | DYRK1A (0.41) | ALDH1A1HPGDTSHRCA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167476-A2 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | Korea Research Institute Of Chemical Technology (KR) | 2010-03-31 | — | — | EP | disclosed |
| WO-2009005674-A2 | NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-01-08 | — | — | WO | disclosed |