Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5314104 | 0.90 | PLD1 (0.49) | PLD1ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL663343 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDCYP1A2CYP3A4 | |
| SCHEMBL3462582 | 0.71 | SIGMAR1 (0.39) | ALDH1A1CYP1A2ALOX5USP2CYP2D6 | |
| SCHEMBL1012951 | 0.69 | HTR2C (0.54) | — | |
| SCHEMBL5605890 | 0.66 | PLD1 (0.41) | PLD1ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL15785562 | 0.66 | PLD1 (0.49) | PLD1ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL7447295 | 0.66 | PLD1 (0.44) | PLD1ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL14860683 | 0.64 | CRBN (0.49) | PLD1ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL4706762 | 0.64 | — | — | |
| SCHEMBL6056002 | 0.64 | PLD1 (0.40) | PLD1ALDH1A1HSD17B10HPGDCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1224183-B1 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1224183-A2 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001027107-A2 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-04-19 | — | — | WO | disclosed |