Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | UTS2R | Q9UKP6 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8398268 | 1.00 | ALDH1A1 (0.53) | ALDH1A1LMNASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL185572 | 0.84 | ALDH1A1 (0.68) | ALDH1A1LMNASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL5988629 | 0.83 | ALDH1A1 (0.54) | ALDH1A1LMNASMN1; SMN2ACACBTSHR | |
| SCHEMBL15655244 | 0.83 | CYP26A1 (0.58) | LMNATSHRMEN1CYP1A2CYP3A4 | |
| SCHEMBL1697588 | 0.82 | CYP1A2 (0.65) | ALDH1A1LMNASMN1; SMN2HTTACACB | |
| SCHEMBL7081080 | 0.82 | ALDH1A1 (0.49) | ALDH1A1LMNASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL186416 | 0.81 | LMNA (0.61) | ALDH1A1LMNASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL186238 | 0.81 | LMNA (0.61) | ALDH1A1LMNASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL186230 | 0.81 | LMNA (0.61) | ALDH1A1LMNASMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL21009509 | 0.80 | ATM (0.51) | BRD4ACACBCNR2UTS2RCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5952527-A | A COMPLEX OF TRANSITIONAL METAL COMPOUND, CYCLOOCTADIENE OR CYCLOPENTADIENE AND 2,2-BIS/DIPHENYLPHOSPHINOAMINO/-5,5',6,6'7,7',8,8'-OCTAHYDRO-1 ,1'-BINAPHTHYL COMPOUND; USED AS HYDROGENATION CATALYST | THE HONG KONG POLYTECHNIC UNIVERSITY (HK) | 1999-09-14 | — | — | US | disclosed |
| US-5919981-A | USING HYDROGENATION 1,1*-BINAPHTHYL-2,2*-DIAMINE AS CHEMICAL INTERMEDIATE | THE HONG KONG POLYTECHNIC UNIVERSITY (HK) | 1999-07-06 | — | — | US | disclosed |