Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8805616 | 0.93 | ALDH1A1 (0.64) | ALDH1A1AGTR1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL15020831 | 0.91 | ALDH1A1 (0.56) | ALDH1A1AGTR1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL593746 | 0.87 | AKR1C3 (0.73) | ALDH1A1AGTR1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL9775167 | 0.84 | CA12 (0.57) | ALDH1A1NPC1SMN1; SMN2RAB9AHPGD | |
| SCHEMBL28512358 | 0.84 | RAB9A (0.61) | ALDH1A1AGTR1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL15033988 | 0.83 | CA12 (0.64) | ALDH1A1AGTR1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL11805893 | 0.82 | RAB9A (0.65) | ALDH1A1AGTR1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL6205108 | 0.81 | NPC1 (0.62) | ALDH1A1NPC1RAB9AMAPTLMNA | |
| SCHEMBL26978298 | 0.81 | PTPN1 (0.57) | ALDH1A1AGTR1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL2784814 | 0.81 | CA12 (0.56) | ALDH1A1AGTR1SMN1; SMN2HPGDAKR1C3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| CN-1681763-A | Chemical compounds | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |
| EP-0783505-A1 | PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE | Novartis AG (CH) | 1997-07-16 | — | — | EP | disclosed |
| WO-1996010028-A1 | PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE | NOVARTIS AG (CH) | 1996-04-04 | — | — | WO | disclosed |