Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20139050 | 1.00 | NPC1 (0.47) | NPC1RAB9ATP53SMN1; SMN2HPGD | |
| SCHEMBL20142935 | 0.84 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HPGDPKM | |
| SCHEMBL20142939 | 0.84 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HPGDPKM | |
| SCHEMBL20138856 | 0.78 | HPGD (0.50) | NPC1RAB9AHPGDMAPTCHRM4 | |
| SCHEMBL20138855 | 0.78 | HPGD (0.50) | NPC1RAB9AHPGDMAPTCHRM4 | |
| SCHEMBL20143024 | 0.76 | CCNA2 (0.49) | NPC1RAB9ATP53SMN1; SMN2HPGD | |
| SCHEMBL20143023 | 0.76 | CCNA2 (0.49) | NPC1RAB9ATP53SMN1; SMN2HPGD | |
| SCHEMBL20142934 | 0.76 | HPGD (0.48) | NPC1RAB9ATP53SMN1; SMN2HPGD | |
| SCHEMBL20142932 | 0.76 | HPGD (0.48) | NPC1RAB9ATP53SMN1; SMN2HPGD | |
| SCHEMBL18216438 | 0.76 | HPGD (0.55) | NPC1RAB9AHPGDCHRM4POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018087126-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | claimed |
| WO-2018087126-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |