Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2557489 | 0.82 | NCF1 (0.43) | NCF1ALDH1A1HSD17B10CYP1A2NOS2 | |
| SCHEMBL1129147 | 0.78 | NCF1 (0.46) | NCF1ALDH1A1HSD17B10CYP1A2NOS2 | |
| SCHEMBL11663983 | 0.78 | CYP1A2 (0.44) | NCF1ALDH1A1HSD17B10CYP1A2NOS2 | |
| SCHEMBL1758979 | 0.77 | BACE1 (0.47) | ALDH1A1CYP1A2BACE1KDM4EMAPT | |
| SCHEMBL28818196 | 0.76 | S1PR3 (0.47) | NCF1ALDH1A1HSD17B10CYP1A2NOS2 | |
| SCHEMBL18426840 | 0.75 | CYP1A2 (0.48) | NCF1ALDH1A1HSD17B10CYP1A2NOS2 | |
| SCHEMBL1261380 | 0.75 | CYP1A2 (0.48) | NCF1ALDH1A1HSD17B10CYP1A2NOS2 | |
| SCHEMBL6852679 | 0.74 | ALDH1A1 (0.37) | NCF1ALDH1A1HSD17B10CYP1A2NOS2 | |
| SCHEMBL9009627 | 0.73 | NCF1 (0.50) | NCF1ALDH1A1HSD17B10CYP1A2NOS2 | |
| Bromide SCHEMBL1866312 | 0.73 | CYP1A2 (0.47) | NCF1ALDH1A1HSD17B10CYP1A2NOS2 |
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-2480543-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS | Istituto di Ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) | 2012-08-01 | — | — | EP | disclosed |
| WO-2011036478-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2011-03-31 | — | — | WO | disclosed |