Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11204468 | 1.00 | FBP1 (0.45) | FBP1CHRM5RELAAKR1C3KMT2A | |
| SCHEMBL11041662 | 1.00 | FBP1 (0.45) | FBP1CHRM5RELAAKR1C3KMT2A | |
| SCHEMBL11044689 | 0.80 | CYP2C9 (0.44) | FBP1AKR1C3ALDH1A1CYP2C9MAOB | |
| SCHEMBL11044687 | 0.80 | CYP2C9 (0.44) | FBP1AKR1C3ALDH1A1CYP2C9MAOB | |
| SCHEMBL11041665 | 0.77 | NR1I2 (0.46) | FBP1CHRM5RELAAKR1C3KMT2A | |
| SCHEMBL11048407 | 0.76 | LMNA (0.40) | KMT2AALDH1A1POLBCYP1A2HPGD | |
| SCHEMBL11048409 | 0.76 | LMNA (0.40) | KMT2AALDH1A1POLBCYP1A2HPGD | |
| SCHEMBL11040960 | 0.75 | AKR1C3 (0.45) | RELAAKR1C3KDM4EALDH1A1GRIN2D | |
| SCHEMBL10886960 | 0.75 | AKR1C3 (0.45) | RELAAKR1C3KDM4EALDH1A1GRIN2D | |
| SCHEMBL11045919 | 0.71 | CYP2A6 (0.39) | RELAAKR1C3POLBPKMHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0085321-B1 | DIPHOSPHONIC ACID DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-08-27 | — | — | EP | disclosed |
| US-4473560-A | Diphosphonic acid derivatives and pharmaceutical preparations containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |