Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | IL4I1 | Q96RQ9 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7665038 | 0.86 | PTPN1 (0.74) | PTPN1HPGDALDH1A1RAB9AMEN1 | |
| SCHEMBL1437331 | 0.84 | IL4I1 (0.57) | PTPN1HPGDALDH1A1IL4I1PARP1 | |
| SCHEMBL8071350 | 0.77 | KMT2A (0.50) | PTPN1HPGDRAB9AKDM4EMAPT | |
| SCHEMBL6945660 | 0.74 | PTPN1 (0.73) | PTPN1ERCC5FEN1 | |
| SCHEMBL6948224 | 0.74 | PTPN1 (0.65) | PTPN1ERCC5FEN1 | |
| SCHEMBL3039881 | 0.74 | HDAC8 (0.56) | HPGDPARP1RAB9AKDM4EMAPT | |
| SCHEMBL28666797 | 0.73 | KMT2A (0.70) | PTPN1HPGDALDH1A1RAB9AKDM4E | |
| SCHEMBL6943577 | 0.72 | PTPN1 (0.66) | PTPN1HPGDPARP1RAB9AKDM4E | |
| SCHEMBL6943340 | 0.71 | PTPN1 (0.74) | PTPN1HPGDKDM4EMAPTLMNA | |
| Dimethylamine SCHEMBL6943573 | 0.71 | PTPN1 (0.69) | PTPN1ERCC5FEN1 |
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 3 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 |
| 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 |