Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.55 |
| ▸ | ALPI | P09923 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | XIAP | P98170 | 1/20 | 0.55 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.55 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Isobutylbenzene SCHEMBL6514302 | 0.94 | PTGS1 (0.59) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL27955709 | 0.91 | PTGS1 (0.59) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL7038219 | 0.90 | EPHX1 (0.53) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL28116998 | 0.89 | PTGS1 (0.57) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL6648882 | 0.89 | PTGS1 (0.57) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL363626 | 0.89 | TAAR1 (0.61) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL27893386 | 0.88 | NPC1 (0.53) | EPHX1PTGS1ALPIPKMXIAP | |
| Isobutylbenzene SCHEMBL27782096 | 0.88 | PTGS1 (0.53) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL27819966 | 0.88 | PTGS1 (0.62) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL28959543 | 0.87 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1756068-A1 | BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS | Boehringer Ingelheim International GmbH (DE) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005121103-A1 | BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-12-22 | — | — | WO | disclosed |