Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10615231 | 0.82 | ESR1 (0.55) | CYP2A6CYP2B6PDCD1CD274ESR1 | |
| SCHEMBL5545802 | 0.77 | ESR1 (0.41) | CYP2A6ESR2ESR1ALDH1A1HPGD | |
| SCHEMBL28600946 | 0.77 | ESR1 (0.37) | ESR2ESR1 | |
| SCHEMBL28603589 | 0.76 | ESR1 (0.32) | ESR2ESR1 | |
| SCHEMBL5536957 | 0.76 | MAOB (0.45) | ALDH1A1HPGDTSHRNPC1RAB9A | |
| SCHEMBL12270245 | 0.75 | ESR1 (0.48) | CYP2A6ESR2PDCD1CD274ESR1 | |
| SCHEMBL12205435 | 0.74 | ESR1 (0.39) | CYP2A6ESR2ESR1ALDH1A1NPC1 | |
| SCHEMBL28288265 | 0.74 | ABL1 (0.44) | ESR2ENPP3ALDH1A1NPC1RAB9A | |
| SCHEMBL4830408 | 0.74 | ESR2 (0.60) | CYP2A6CYP2B6ESR2PDCD1CD274 | |
| SCHEMBL11434251 | 0.73 | MAPT (0.46) | ESR1ALDH1A1HPGDNPC1RAB9A |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8980837-B2 | Inhibitors of IAP | GENENTECH, INC. (US) | 2015-03-17 | — | — | US | disclosed |
| US-8980837-B2 | Inhibitors of IAP | GENENTECH, INC. (US) | 2015-03-17 | — | — | US | disclosed |
| US-8907092-B2 | Inhibitors of IAP | GENENTECH, INC. (US) | 2014-12-09 | — | — | US | disclosed |
| US-8907092-B2 | Inhibitors of IAP | GENENTECH, INC. (US) | 2014-12-09 | — | — | US | disclosed |
| EP-2570418-A2 | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-03-20 | — | — | EP | disclosed |
| EP-1555267-B1 | 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES | OTSUKA PHARMA CO LTD (JP) | 2013-01-16 | — | — | EP | disclosed |
| US-20120202750-A1 | INHIBITORS OF IAP | GENENTECH, INC. (US) | 2012-08-09 | — | — | US | disclosed |
| US-20120202750-A1 | INHIBITORS OF IAP | GENENTECH, INC. (US) | 2012-08-09 | — | — | US | disclosed |
| US-8110568-B2 | Inhibitors of IAP | GENENTECH, INC. (US) | 2012-02-07 | — | — | US | disclosed |
| US-20110077265-A1 | INHIBITORS OF IAP | GENENTECH, INC. (US) | 2011-03-31 | — | — | US | disclosed |
| US-20110046066-A1 | INHIBITORS OF IAP | GENENTECH, INC. (US) | 2011-02-24 | — | — | US | disclosed |
| US-20100256115-A1 | INHIBITORS OF IAP | COHEN FREDERICK | 2010-10-07 | — | — | US | disclosed |
| WO-2009089502-A1 | INHIBITORS OF IAP | GENENTECH, INC. (US) | 2009-07-16 | — | — | WO | disclosed |
| US-20070299052-A1 | Inhibitors of IAP | GENENTECH, INC. (US) | 2007-12-27 | — | — | US | disclosed |
| US-7262212-B2 | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-08-28 | — | — | US | disclosed |
| US-7244851-B2 | 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies | GENENTECH, INC. (US) | 2007-07-17 | — | — | US | disclosed |
| US-20060094767-A1 | 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-05-04 | — | — | US | disclosed |
| EP-1555267-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-07-20 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060094767-A1 | 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles | NR2C2, NR4A3, NR4A2 | CYP2A6 1119/4885CYP2B6 758/4885ESR2 339/4885 |
| US-20070299052-A1 | Inhibitors of IAP | XIAP, BIRC5, BIRC3 | CYP2A6 4773/4885CYP2B6 4840/4885ESR2 2293/4885 |
| US-20110046066-A1 | INHIBITORS OF IAP | BIRC5, XIAP, BIRC3 | CYP2A6 4767/4885CYP2B6 4806/4885ESR2 2173/4885 |
| US-20120202750-A1 | INHIBITORS OF IAP | XIAP, BIRC5, BIRC3 | CYP2A6 4773/4885CYP2B6 4840/4885ESR2 2293/4885 |
| US-20100256115-A1 | INHIBITORS OF IAP | XIAP, BIRC5, BIRC3 | CYP2A6 4773/4885CYP2B6 4840/4885ESR2 2293/4885 |
| US-20110077265-A1 | INHIBITORS OF IAP | XIAP, BIRC5, BIRC2 | CYP2A6 4661/4885CYP2B6 4750/4885ESR2 2290/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.