Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4493177 | 0.81 | BACE1 (0.63) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL7385338 | 0.79 | GSK3B (0.59) | ALDH1A1GSK3BMEN1KMT2ACDC7 | |
| SCHEMBL11502325 | 0.78 | ADORA1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL8994051 | 0.77 | GSK3B (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28499587 | 0.75 | ALDH1A1 (0.49) | ALDH1A1GSK3B | |
| SCHEMBL8994033 | 0.74 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL10686873 | 0.74 | TDP2 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL4508981 | 0.72 | BACE1 (0.67) | KDM4EBACE1 | |
| SCHEMBL8756013 | 0.72 | KMT2A (0.59) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL11797265 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0654035-B1 | PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES | UPJOHN CO (US) | 1997-08-20 | — | — | EP | disclosed |
| EP-0521622-B1 | Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as anti-inflammatories | UPJOHN CO (US) | 1997-08-13 | — | — | EP | disclosed |
| US-5643895-A | Phosphonoacetic esters and acids as anti-inflammatories | THE UPJOHN COMPANY (US) | 1997-07-01 | — | — | US | disclosed |
| EP-0593575-B1 | PYRAZOLOPYRIMIDINE AND PYRIMIDINYL BISPHOSPHONIC ESTERS AS ANTI-INFLAMMATORIES | UPJOHN CO (US) | 1997-05-07 | — | — | EP | disclosed |
| US-5565441-A | AN N-HETEROCYCLE DERIVATIVE; ANTIARTHRITIC AGENTS; DISEASES CHARACTERIZED BY ABNORMAL PHOSPHATE AND CALCIUM METABOLISM; CHRONIC DISEASES | THE UPJOHN COMPANY (US) | 1996-10-15 | — | — | US | disclosed |
| EP-0654035-A1 | PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES. | UPJOHN CO (US) | 1995-05-24 | — | — | EP | disclosed |
| US-5397774-A | Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as anti-inflammatories | THE UPJOHN COMPANY (US) | 1995-03-14 | — | — | US | disclosed |
| EP-0593575-A1 | PYRAZOLOPYRIMIDINE AND PYRIMIDINYL BISPHOSPHONIC ESTERS AS ANTI-INFLAMMATORIES. | UPJOHN CO (US) | 1994-04-27 | — | — | EP | disclosed |
| WO-1994003463-A1 | PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES | THE UPJOHN COMPANY (US) | 1994-02-17 | — | — | WO | disclosed |
| WO-1993001198-A1 | PYRAZOLOPYRIMIDINE AND PYRIMIDINYL BISPHOSPHONIC ESTERS AS ANTI-INFLAMMATORIES | THE UPJOHN COMPANY (US) | 1993-01-21 | — | — | WO | disclosed |
| EP-0521622-A1 | Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as anti-inflammatories | THE UPJOHN COMPANY (US) | 1993-01-07 | — | — | EP | disclosed |