Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | FOS | P01100 | 1/20 | 0.36 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11045363 | 0.85 | MEN1 (0.44) | NR1I2PTGS2AKR1C3LMNAPOLB | |
| SCHEMBL10881234 | 0.85 | MEN1 (0.44) | NR1I2PTGS2AKR1C3LMNAPOLB | |
| SCHEMBL11045401 | 0.84 | ALDH1A1 (0.50) | CYP2A6TSHRAKR1C3HPGDTRPM8 | |
| SCHEMBL11044687 | 0.84 | CYP2C9 (0.44) | NR1I2PTGS2AKR1C3 | |
| SCHEMBL11045397 | 0.84 | ALDH1A1 (0.50) | CYP2A6TSHRAKR1C3HPGDTRPM8 | |
| SCHEMBL11044689 | 0.84 | CYP2C9 (0.44) | NR1I2PTGS2AKR1C3 | |
| SCHEMBL10886960 | 0.75 | AKR1C3 (0.45) | RELAAKR1C3MAPT | |
| SCHEMBL11040960 | 0.75 | AKR1C3 (0.45) | RELAAKR1C3MAPT | |
| SCHEMBL10883239 | 0.71 | FBP1 (0.45) | SMN1; SMN2RELAPTGS2AKR1C3LMNA | |
| SCHEMBL11041662 | 0.71 | FBP1 (0.45) | SMN1; SMN2RELAPTGS2AKR1C3LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4473560-A | Diphosphonic acid derivatives and pharmaceutical preparations containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |