Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 2/20 | 0.41 |
| ▸ | CCR1 | P32246 | 4/20 | 0.40 |
| ▸ | CCR8 | P51685 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9078085 | 0.99 | TYMS (0.40) | TYMSCCR1CCR8L3MBTL1ALDH1A1 | |
| SCHEMBL9078696 | 0.82 | TYMS (0.51) | TYMSCCR1CCR8L3MBTL1ALDH1A1 | |
| SCHEMBL9077996 | 0.79 | MAPT (0.52) | L3MBTL1ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL9077988 | 0.77 | ALDH1A1 (0.44) | TYMSL3MBTL1ALDH1A1MAPTKDM4E | |
| SCHEMBL9219065 | 0.74 | MAPT (0.48) | TYMSL3MBTL1ALDH1A1MAPTLMNA | |
| SCHEMBL9216777 | 0.73 | SIRT1 (0.47) | MAPTCYP2D6RAB9A | |
| SCHEMBL1565203 | 0.68 | TYMS (0.64) | TYMSMAPTCYP2D6RAB9A | |
| SCHEMBL9039617 | 0.66 | CCR1 (0.56) | CCR1CCR8L3MBTL1ALDH1A1MAPT | |
| SCHEMBL9308045 | 0.66 | NPC1 (0.47) | TYMSCCR1CCR8ALDH1A1MAPT | |
| SCHEMBL13977909 | 0.66 | PSMD14 (0.62) | CCR1CCR8L3MBTL1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |