Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PDE1A | P54750 | 3/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.41 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4108345 | 0.90 | PDCD1 (0.51) | PDCD1CD274HPGDPDE1APDE1B | |
| SCHEMBL15961305 | 0.81 | CA2 (0.49) | PDCD1CD274LMNAHPGDSMN1; SMN2 | |
| SCHEMBL1206479 | 0.74 | CNR2 (0.51) | PDCD1CD274MTNR1AMTNR1B | |
| SCHEMBL4109541 | 0.74 | ALDH1A1 (0.44) | LMNAHPGDHSD17B10TSHRKDM4E | |
| SCHEMBL2782523 | 0.74 | ALDH1A1 (0.56) | PDCD1CD274HPGDHSD17B10TSHR | |
| SCHEMBL4819674 | 0.73 | ABL1 (0.62) | PDCD1CD274HSD17B10TSHRCYP1A2 | |
| SCHEMBL13232065 | 0.73 | PDCD1 (0.47) | PDCD1CD274PDE4APDE4BPDE4C | |
| SCHEMBL1207162 | 0.72 | PDCD1 (0.50) | PDCD1CD274PDE1APDE1BPDE1C | |
| SCHEMBL3862588 | 0.71 | HTR7 (0.49) | PDCD1CD274TSHRALDH1A1PDE4A | |
| SCHEMBL560783 | 0.71 | MEN1 (0.43) | PDCD1CD274LMNAHPGDSMN1; 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 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 |