Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20142939 | 1.00 | NPC1 (0.56) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL20139053 | 0.84 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2HPGDCNR1 | |
| SCHEMBL20139050 | 0.84 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2HPGDCNR1 | |
| SCHEMBL20184974 | 0.82 | SMN1; SMN2 (0.53) | RAB9AKDM4EALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL18216201 | 0.82 | SMN1; SMN2 (0.53) | RAB9AKDM4EALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL20143023 | 0.82 | CCNA2 (0.49) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL20143024 | 0.82 | CCNA2 (0.49) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL18208565 | 0.80 | EPHB3 (0.55) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL18208569 | 0.80 | EPHB3 (0.55) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL20142934 | 0.80 | HPGD (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2018087126-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |