Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 9/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17737359 | 0.86 | KMT2A (0.76) | HTTMEN1MAPK1BLMKMT2A | |
| SCHEMBL10397739 | 0.85 | NPC1 (0.71) | MEN1KMT2ASMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL4433476 | 0.80 | TRPV1 (0.65) | HTTMEN1MAPK1BLMKMT2A | |
| SCHEMBL11730609 | 0.79 | LMNA (0.65) | MEN1KMT2ATRPV1SMN1; SMN2CNR1 | |
| SCHEMBL27583486 | 0.79 | NPC1 (0.72) | HTTMEN1MAPK1BLMKMT2A | |
| SCHEMBL4422188 | 0.79 | KMT2A (0.66) | HTTMEN1MAPK1BLMKMT2A | |
| SCHEMBL2315592 | 0.79 | KDM4E (0.67) | HTTMEN1MAPK1BLMKMT2A | |
| SCHEMBL30544195 | 0.79 | KDM4E (0.67) | HTTMEN1MAPK1BLMKMT2A | |
| SCHEMBL5660097 | 0.78 | TRPV1 (0.71) | TRPV1 | |
| SCHEMBL17744840 | 0.78 | SMN1; SMN2 (0.71) | MEN1MAPK1KMT2ASMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6638921-B1 | Pharmaceutically acceptable derivatives thereof Cx, R1 and R2 being as defined in the disclosure may be used to inhibit the activity of HIV integrase. | PHARMACOR INC. (CA) | 2003-10-28 | — | — | US | disclosed |
| WO-2003082881-A2 | PYRIDOXAL-5-PHOSPHATE DERIVATIVES AS HIV INTEGRASE INHIBITORS | PROCYON BIOPHARMA INC. (CA) | 2003-10-09 | — | — | WO | disclosed |