Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.69 |
| ▸ | MAPT | P10636 | 5/20 | 0.65 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | SCD | O00767 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | G6PD | P11413 | 1/20 | 0.53 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16383875 | 0.86 | MAPT (0.64) | KMT2AMAPTRAB9ANPC1PTGER3 | |
| SCHEMBL7348082 | 0.86 | MAPT (0.64) | KMT2AMAPTRAB9ANPC1PTGER3 | |
| SCHEMBL8556554 | 0.83 | KMT2A (0.75) | KMT2AMAPTRAB9ANPC1MEN1 | |
| SCHEMBL27877036 | 0.81 | LMNA (0.62) | KMT2AMAPTRAB9ANPC1MEN1 | |
| SCHEMBL8118503 | 0.78 | MAPT (0.64) | KMT2AMAPTRAB9ANPC1PTGER3 | |
| SCHEMBL18762149 | 0.77 | KMT2A (0.73) | KMT2AMAPTRAB9ANPC1MEN1 | |
| SCHEMBL8554413 | 0.76 | LMNA (0.65) | KMT2AMAPTRAB9ANPC1MEN1 | |
| SCHEMBL15867677 | 0.76 | TAS1R3 (0.80) | MAPTRAB9ANPC1PTGER3ALDH1A1 | |
| SCHEMBL17318577 | 0.74 | KDM4E (0.73) | KMT2AMAPTRAB9ANPC1MEN1 | |
| SCHEMBL8554147 | 0.74 | LMNA (0.65) | KMT2AMAPTRAB9ANPC1MEN1 |
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-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | claimed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | claimed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | disclosed |