Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7782729 | 0.81 | HDAC3 (0.38) | ALDH1A1RAB9AHPGDTNKS2LMNA | |
| SCHEMBL7412279 | 0.77 | PDE4B (0.41) | ALDH1A1RAB9ACYP1A2CYP2C9HPGD | |
| SCHEMBL7780144 | 0.75 | NPC1 (0.42) | ALDH1A1RAB9ALMNAKDM4ENPC1 | |
| SCHEMBL811736 | 0.71 | MAPT (0.49) | ALDH1A1RAB9ACYP1A2HPGDPARP1 | |
| SCHEMBL7410441 | 0.71 | TAAR1 (0.35) | SMN1; SMN2 | |
| SCHEMBL7404050 | 0.71 | KDM4E (0.31) | KDM4E | |
| SCHEMBL8309473 | 0.68 | KDM4E (0.33) | HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL28767296 | 0.67 | ALDH1A1 (0.51) | ALDH1A1RAB9AHPGDKDM4ENPC1 | |
| SCHEMBL2488026 | 0.67 | P2RX7 (0.32) | ALDH1A1 | |
| SCHEMBL7036713 | 0.67 | CYP2A6 (0.33) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002022584-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |
| EP-1135377-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034254-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2000-06-15 | — | — | WO | disclosed |