Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 6/20 | 0.67 |
| ▸ | MAOB | P27338 | 2/20 | 0.63 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.61 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.60 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.52 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950492 | 1.00 | NR4A2 (0.67) | NR4A2MAOBPTPN1SMPD1SRD5A2 | |
| SCHEMBL6940936 | 0.90 | NR4A2 (0.70) | NR4A2MAOBPTPN1SMPD1MEN1 | |
| SCHEMBL6940932 | 0.90 | NR4A2 (0.70) | NR4A2MAOBPTPN1SMPD1MEN1 | |
| SCHEMBL6946121 | 0.90 | MAOB (0.66) | NR4A2MAOBPTPN1SMPD1NR1H4 | |
| SCHEMBL6946117 | 0.90 | MAOB (0.66) | NR4A2MAOBPTPN1SMPD1NR1H4 | |
| SCHEMBL6951859 | 0.90 | NR4A2 (0.70) | NR4A2MAOBPTPN1MEN1KMT2A | |
| SCHEMBL6951854 | 0.90 | NR4A2 (0.70) | NR4A2MAOBPTPN1MEN1KMT2A | |
| SCHEMBL6947866 | 0.89 | MEN1 (0.65) | NR4A2MAOBPTPN1SMPD1SRD5A2 | |
| SCHEMBL6947862 | 0.89 | MEN1 (0.65) | NR4A2MAOBPTPN1SMPD1SRD5A2 | |
| SCHEMBL6205727 | 0.89 | MRGPRX4 (0.63) | NR4A2MAOBPTPN1SMPD1ALDH1A1 |
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 4 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 | 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 |