Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29494722 | 1.00 | CES1 (0.54) | CES1MAOBCYP2A6MAOASETD7 | |
| SCHEMBL13932276 | 0.85 | CYP2A6 (0.56) | CES1MAOBCYP2A6MAOANOS3 | |
| SCHEMBL10976510 | 0.81 | CES1 (0.56) | CES1MAOBCYP2A6MAOASETD7 | |
| Dihydrophenanthrene SCHEMBL29404495 | 0.80 | CES1 (0.68) | CES1MAOBCYP2A6MAOASETD7 | |
| Dihydrophenanthrene SCHEMBL30297028 | 0.80 | CES1 (0.68) | CES1MAOBCYP2A6MAOASETD7 | |
| Dihydrophenanthrene SCHEMBL155991 | 0.80 | CES1 (0.68) | CES1MAOBCYP2A6MAOASETD7 | |
| SCHEMBL30436624 | 0.77 | CES1 (0.65) | CES1MAOBCYP2A6MAOASETD7 | |
| Dihydrophenanthrene SCHEMBL28876918 | 0.77 | CES1 (0.65) | CES1MAOBCYP2A6MAOASETD7 | |
| Dihydrophenanthrene SCHEMBL28858771 | 0.77 | CES1 (0.65) | CES1MAOBCYP2A6MAOASETD7 | |
| Dihydrophenanthrene SCHEMBL27560594 | 0.77 | CES1 (0.65) | CES1MAOBCYP2A6MAOASETD7 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10172863-B2 | Purine derivatives useful as HSP90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2019-01-08 | — | — | US | disclosed |
| US-20180111898-A1 | COMPOSITION, FLUORINATING REAGENT, AND METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND | DAIKIN INDUSTRIES, LTD. (JP) | 2018-04-26 | — | — | US | disclosed |
| US-9758455-B2 | Method for producing fluorinated organic compound and fluorinating reagent | DAIKIN INDUSTRIES, LTD. (JP) | 2017-09-12 | — | — | US | disclosed |
| US-20160310497-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2016-10-27 | — | — | US | disclosed |
| US-9328114-B2 | Hsp90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2016-05-03 | — | — | US | disclosed |
| US-20150315136-A1 | METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND AND FLUORINATING REAGENT | NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) | 2015-11-05 | — | — | US | disclosed |
| US-20120208806-A1 | Hsp90 Inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2012-08-16 | — | — | US | disclosed |
| EP-1181295-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000073311-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-07 | — | — | WO | 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 (5 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-10172863-B2 | Purine derivatives useful as HSP90 inhibitors | XDH, HSP90B1, HSP90AA1 | CES1 1341/4885MAOB 1262/4885CYP2A6 1534/4885 |
| US-20180111898-A1 | COMPOSITION, FLUORINATING REAGENT, AND METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND | IPO5, AFF2, IL5 | CES1 3675/4885MAOB 2320/4885CYP2A6 1596/4885 |
| US-20120208806-A1 | Hsp90 Inhibitors | HSP90B1, HSP90AB1, HSP90AB2P | CES1 2998/4885MAOB 4355/4885CYP2A6 4352/4885 |
| US-20160310497-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | XDH, HSP90B1, HSP90AA1 | CES1 1341/4885MAOB 1262/4885CYP2A6 1534/4885 |
| US-20150315136-A1 | METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND AND FLUORINATING REAGENT | NOX5, AFF2, AFF4 | CES1 4357/4885MAOB 141/4885CYP2A6 1960/4885 |
“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.