Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.50 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.50 |
| ▸ | ITGAL | P20701 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | ADK | P55263 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | WNT3A | P56704 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Indole SCHEMBL29627418 | 0.96 | MTNR1A (0.49) | TRPA1CA1CA2ITGB2ICAM1 | |
| SCHEMBL31336079 | 0.89 | LOXL2 (0.56) | AKR1B1NLRP3LOXL2MTNR1AMTNR1B | |
| SCHEMBL49270 | 0.89 | LOXL2 (0.56) | AKR1B1NLRP3LOXL2MTNR1AMTNR1B | |
| SCHEMBL29365671 | 0.89 | LOXL2 (0.56) | AKR1B1NLRP3LOXL2MTNR1AMTNR1B | |
| Water SCHEMBL30025993 | 0.88 | LOXL2 (0.55) | AKR1B1NLRP3LOXL2MTNR1AMTNR1B | |
| SCHEMBL31511816 | 0.88 | LOXL2 (0.55) | AKR1B1NLRP3LOXL2MTNR1AMTNR1B | |
| Indole SCHEMBL28354967 | 0.83 | MTNR1A (0.48) | TRPA1CA1CA2ITGB2ICAM1 | |
| SCHEMBL29396052 | 0.82 | AKR1B1 (0.49) | AKR1B1NLRP3LOXL2MTNR1AMTNR1B | |
| SCHEMBL1576841 | 0.80 | POLB (0.46) | AKR1B1NLRP3LOXL2MTNR1AMTNR1B | |
| Phenylacetic Acid SCHEMBL26643888 | 0.80 | AKR1B1 (0.59) | TRPA1CA1CA2ITGB2ICAM1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2217259-A2 | METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS | National Jewish Health (US) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009052411-A2 | METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS | NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) | 2009-04-23 | — | — | WO | disclosed |
| EP-1954681-A2 | COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT | National Jewish Medical and Research Center (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1931345-A2 | METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS | National Jewish Medical and Research Center (US) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007073518-A9 | COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT | NAT JEWISH MED & RES CENTER (US) | 2007-08-23 | — | — | WO | disclosed |
| WO-2007073518-A2 | COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT | NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) | 2007-06-28 | — | — | WO | disclosed |
| WO-2007024741-A2 | METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS | NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) | 2007-03-01 | — | — | WO | disclosed |