Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | KDM1A | O60341 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21054940 | 0.85 | POLB (0.62) | POLBTP53MAPTRAB9ANPC1 | |
| SCHEMBL590420 | 0.82 | POLB (0.62) | POLBTP53MAPTRAB9ANPC1 | |
| SCHEMBL3070644 | 0.82 | POLB (0.56) | POLBTP53MAPTRAB9ANPC1 | |
| SCHEMBL8867533 | 0.81 | POLB (0.64) | POLBTP53MAPTRAB9ANPC1 | |
| SCHEMBL3968088 | 0.81 | POLB (0.64) | POLBTP53MAPTRAB9ANPC1 | |
| SCHEMBL8579394 | 0.80 | SMN1; SMN2 (0.61) | POLBTP53MAPTRAB9ANPC1 | |
| SCHEMBL13666356 | 0.80 | POLB (0.59) | POLBTP53MAPTRAB9ANPC1 | |
| SCHEMBL16942604 | 0.80 | POLB (0.62) | POLBTP53MAPTRAB9ANPC1 | |
| SCHEMBL19682897 | 0.80 | POLB (0.62) | POLBTP53MAPTRAB9ANPC1 | |
| SCHEMBL23917849 | 0.79 | ALDH1A1 (0.69) | POLBTP53MAPTRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6046355-A | TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS | WARNER-LAMBERT COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0935597-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1999-08-18 | — | — | EP | disclosed |
| US-5834506-A | TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS | WARNER-LAMBERT COMPANY (US) | 1998-11-10 | — | — | US | disclosed |
| WO-1998019997-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |