Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3145185 | 0.72 | EPHX2 (0.47) | EPHX2TAS1R3TAS1R1EPHX1LMNA | |
| SCHEMBL27666301 | 0.71 | TAS1R3 (0.55) | EPHX2TAS1R3TAS1R1EPHX1LMNA | |
| SCHEMBL27666303 | 0.71 | TAS1R3 (0.55) | EPHX2TAS1R3TAS1R1EPHX1LMNA | |
| SCHEMBL7906007 | 0.71 | ALDH1A1 (0.53) | LMNACYP3A4CYP2C19RAB9AALDH1A1 | |
| SCHEMBL24146311 | 0.70 | EPHX2 (0.68) | EPHX2TAS1R3TAS1R1PSEN1PSEN2 | |
| SCHEMBL3107097 | 0.70 | CA12 (0.54) | EPHX2TAS1R3TAS1R1EPHX1CA12 | |
| SCHEMBL19652079 | 0.68 | CA12 (0.56) | EPHX2TAS1R3TAS1R1EPHX1CYP3A4 | |
| SCHEMBL19836585 | 0.68 | CA12 (0.56) | EPHX2TAS1R3TAS1R1EPHX1CYP3A4 | |
| SCHEMBL4002970 | 0.68 | TSHR (0.53) | LMNACYP3A4CYP2C19RAB9AALDH1A1 | |
| SCHEMBL19416190 | 0.68 | EPHX2 (0.57) | EPHX2TAS1R3TAS1R1NTRK1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |