Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10610547 | 0.84 | CYP3A4 (0.52) | CD44ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL11658684 | 0.84 | POLB (0.44) | POLBKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL28680564 | 0.83 | KCNH2 (0.46) | CD44KDM4EALDH1A1HPGDTSHR | |
| SCHEMBL102570 | 0.82 | HTR2A (0.50) | CD44POLBHPGDCYP3A4CYP1A2 | |
| SCHEMBL2776883 | 0.81 | MEN1 (0.41) | CD44ALDH1A1HPGDCYP3A4TAAR1 | |
| Nitrogen SCHEMBL27535571 | 0.81 | POLB (0.41) | POLBKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL27535570 | 0.79 | LTA4H (0.33) | POLBTSHRCYP1A2CYP2A6TAAR1 | |
| SCHEMBL5793478 | 0.79 | POLB (0.43) | POLBKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL3132841 | 0.79 | CD44 (0.46) | CD44POLBALDH1A1HPGDTSHR | |
| SCHEMBL6648051 | 0.77 | LOXL2 (0.45) | CD44CYP3A4CYP1A2 |
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-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |