Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 5/20 | 0.55 |
| ▸ | IDO1 | P14902 | 5/20 | 0.47 |
| ▸ | TDO2 | P48775 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833715 | 0.74 | MAPT (0.41) | NQO2IDO1TDO2MAPTKMT2A | |
| SCHEMBL2983658 | 0.71 | IDO1 (0.61) | IDO1TDO2MAPTGAA | |
| SCHEMBL10375393 | 0.69 | NQO2 (0.49) | NQO2MEN1MAPTKMT2ACYP1A2 | |
| SCHEMBL9834483 | 0.68 | IDO1 (0.35) | NQO2IDO1TDO2MAPTGAA | |
| SCHEMBL24113526 | 0.65 | IDO1 (0.67) | IDO1TDO2MEN1MAPTKMT2A | |
| SCHEMBL11215523 | 0.65 | NQO2 (0.59) | NQO2MEN1MAPTKMT2ACHRNB2 | |
| SCHEMBL5733087 | 0.64 | CREBBP (0.40) | IDO1TDO2MAPTGAASMN1; SMN2 | |
| SCHEMBL18682061 | 0.64 | CHRNB2 (0.57) | MEN1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL9833587 | 0.63 | KDM4E (0.41) | IDO1TDO2MAPTKMT2AGAA | |
| SCHEMBL15628059 | 0.63 | IDO1 (0.69) | IDO1TDO2MAPTGAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0161632-B1 | PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES | Roche Diagnostics GmbH (DE) | 1991-04-10 | — | — | EP | disclosed |
| US-4963686-A | INTERMEDIATES FOR INOTROPIC AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1990-10-16 | — | — | US | disclosed |
| EP-0161632-A2 | Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates | Roche Diagnostics GmbH (DE) | 1985-11-21 | — | — | EP | disclosed |