Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10696946 | 0.77 | NOTUM (0.39) | TSHRMEN1KMT2AALOX5PTGS2 | |
| Benzene SCHEMBL11299980 | 0.70 | TSHR (0.93) | TSHRHPGDSIGMAR1DRD4MAPT | |
| SCHEMBL455368 | 0.69 | CYP3A4 (0.41) | TSHRHPGDCYP3A4COMTMEN1 | |
| Benzene SCHEMBL6406426 | 0.68 | TSHR (0.87) | TSHRHPGDSIGMAR1DRD4 | |
| Hydrogen Peroxide SCHEMBL30110573 | 0.68 | TSHR (0.87) | TSHRHPGDMEN1KMT2AALDH1A1 | |
| Hydrogen Peroxide SCHEMBL298462 | 0.68 | TSHR (0.87) | TSHRHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL14603457 | 0.67 | CYP3A4 (0.39) | HPGDCYP3A4COMTALDH1A1CYP1A2 | |
| SCHEMBL11143098 | 0.67 | COMT (0.59) | HPGDCYP3A4COMTALDH1A1CYP1A2 | |
| SCHEMBL720718 | 0.67 | NPC1 (0.41) | TSHRHPGDCYP3A4COMTMEN1 | |
| SCHEMBL8355 | 0.67 | TSHR (1.00) | TSHRHPGDSIGMAR1DRD4MAPT |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-58110566-A | — | — | None | — | — | JP | disclosed |
| JP-58131969-A | — | — | None | — | — | JP | disclosed |
| JP-58162574-A | — | — | None | — | — | JP | disclosed |
| JP-58162574-A | — | — | None | — | — | JP | disclosed |
| JP-58192868-A | — | — | None | — | — | JP | disclosed |
| JP-59065074-A | — | — | None | — | — | JP | disclosed |
| JP-59065074-A | — | — | None | — | — | JP | disclosed |
| JP-S5965074-A | 2-PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING IT AS ACTIVE INGREDIENT | SUMITOMO CHEM CO LTD | 1984-04-13 | — | — | JP | disclosed |
| JP-S5965074-A | 2-PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING IT AS ACTIVE INGREDIENT | SUMITOMO CHEM CO LTD | 1984-04-13 | — | — | JP | disclosed |
| JP-S58192868-A | 2-PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID COMPOUND AS ACTIVE COMPONENT | SUMITOMO CHEM CO LTD | 1983-11-10 | — | — | JP | disclosed |
| JP-S58162574-A | 2-PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT | SUMITOMO CHEM CO LTD | 1983-09-27 | — | — | JP | disclosed |
| JP-S58162574-A | 2-PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT | SUMITOMO CHEM CO LTD | 1983-09-27 | — | — | JP | disclosed |
| JP-S58131969-A | 2-PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT | SUMITOMO CHEM CO LTD | 1983-08-06 | — | — | JP | disclosed |
| JP-S58110566-A | 2-PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT | SUMITOMO CHEM CO LTD | 1983-07-01 | — | — | JP | disclosed |