Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CTSV | O60911 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2469763 | 0.83 | CYP19A1 (0.43) | CYP19A1MAPTLMNAALDH1A1GAA | |
| SCHEMBL2468850 | 0.82 | MAPT (0.56) | MAPTLMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL7752904 | 0.78 | AKR1C4 (0.67) | MAPTPOLBPIN1AKR1C4AKR1C3 | |
| SCHEMBL8578400 | 0.78 | MAPT (0.73) | CYP19A1MAPTLMNAPOLBHTT | |
| SCHEMBL6811878 | 0.77 | CYP19A1 (0.59) | CYP19A1MAPTLMNAPOLBHTT | |
| SCHEMBL10912944 | 0.77 | CYP19A1 (0.64) | CYP19A1MAPTLMNAPOLBHTT | |
| SCHEMBL7752953 | 0.76 | PIN1 (0.56) | MAPTLMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL27346954 | 0.75 | MAPT (0.56) | CYP19A1MAPTLMNAPOLBHTT | |
| SCHEMBL8568341 | 0.74 | AKR1C4 (0.52) | MAPTLMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL6545840 | 0.74 | AKR1C4 (0.52) | MAPTLMNAPOLBHTTSMN1; SMN2 |
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-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |