Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1805543 | 0.88 | HSP90AA1 (0.60) | HSP90AA1ESR2TDP1POLBRAB9A | |
| SCHEMBL4402263 | 0.86 | HSP90AA1 (0.44) | HSP90AA1ESR2TDP1POLBRAB9A | |
| SCHEMBL13485765 | 0.81 | HSP90AA1 (0.53) | HSP90AA1ESR2TDP1POLBRAB9A | |
| SCHEMBL5237850 | 0.81 | F10 (0.51) | HSP90AA1ESR2TDP1F10 | |
| SCHEMBL1842123 | 0.80 | CHEK2 (0.51) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL6503801 | 0.76 | HPSE (0.42) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL1106071 | 0.76 | TDP1 (0.76) | HSP90AA1ESR2TDP1POLBRAB9A | |
| SCHEMBL17518793 | 0.76 | TDP1 (0.53) | HSP90AA1ESR2TDP1POLBRAB9A | |
| SCHEMBL889060 | 0.76 | TDP1 (0.57) | HSP90AA1ESR2TDP1POLBRAB9A | |
| SCHEMBL13306080 | 0.75 | TDP1 (0.53) | HSP90AA1ESR2TDP1POLBRAB9A |
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-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |
| CN-101321525-A | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-12-10 | — | — | CN | disclosed |