Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 5/20 | 0.70 |
| ▸ | MAOB | P27338 | 6/20 | 0.65 |
| ▸ | MAOA | P21397 | 4/20 | 0.65 |
| ▸ | RXRA | P19793 | 2/20 | 0.57 |
| ▸ | RXRB | P28702 | 2/20 | 0.57 |
| ▸ | RXRG | P48443 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951279 | 1.00 | NR4A2 (0.70) | NR4A2MAOBMAOARXRARXRB | |
| SCHEMBL6940932 | 0.89 | NR4A2 (0.70) | NR4A2MAOBMAOARXRARXRB | |
| SCHEMBL6940936 | 0.89 | NR4A2 (0.70) | NR4A2MAOBMAOARXRARXRB | |
| SCHEMBL6950489 | 0.89 | NR4A2 (0.67) | NR4A2MAOBMAOAPKMMRGPRX4 | |
| SCHEMBL6950492 | 0.89 | NR4A2 (0.67) | NR4A2MAOBMAOAPKMMRGPRX4 | |
| SCHEMBL6951292 | 0.87 | MRGPRX4 (0.57) | NR4A2MAOBMAOARXRARXRB | |
| SCHEMBL6951296 | 0.87 | MRGPRX4 (0.57) | NR4A2MAOBMAOARXRARXRB | |
| SCHEMBL6205727 | 0.85 | MRGPRX4 (0.63) | NR4A2MAOBMAOANPC1RAB9A | |
| SCHEMBL6205725 | 0.85 | MRGPRX4 (0.63) | NR4A2MAOBMAOANPC1RAB9A | |
| SCHEMBL6205720 | 0.85 | MRGPRX4 (0.63) | NR4A2MAOBMAOANPC1RAB9A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |