Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BCL9 | O00512 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11796570 | 0.84 | TDP1 (0.44) | CYP1A2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL7919844 | 0.80 | ALDH1A1 (0.56) | CYP1A2ALDH1A1POLBTDP1MAPK1 | |
| SCHEMBL1648359 | 0.78 | TDP1 (0.48) | CYP1A2ALDH1A1POLBTDP1TSHR | |
| SCHEMBL3988349 | 0.78 | TDP1 (0.48) | CYP1A2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL15540150 | 0.78 | MEN1 (0.50) | CYP1A2MEN1KMT2AALDH1A1POLB | |
| SCHEMBL27338628 | 0.78 | MEN1 (0.71) | CYP1A2MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL2089243 | 0.77 | CYP1A2 (0.70) | CYP1A2MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL305912 | 0.77 | CYP1A2 (0.70) | CYP1A2MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL2089245 | 0.77 | CYP1A2 (0.70) | CYP1A2MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL7742622 | 0.76 | MEN1 (0.69) | CYP1A2MEN1KMT2AALDH1A1POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0416033-B1 | MACROCYCLIC CHELATES AND METHODS OF USE THEREOF | US COMMERCE (US) | 1996-03-06 | — | — | EP | disclosed |
| US-5428154-A | Medical diagnosis, radioactive labeling | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-06-27 | — | — | US | disclosed |
| EP-0416033-A4 | MACROCYCLIC CHELATES AND METHODS OF USE THEREOF | US COMMERCE (US) | 1991-04-17 | — | — | EP | disclosed |
| EP-0416033-A1 | MACROCYCLIC CHELATES AND METHODS OF USE THEREOF. | US COMMERCE (US) | 1991-03-13 | — | — | EP | disclosed |
| US-4923985-A | Process for synthesizing macrocyclic chelates | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 1990-05-08 | — | — | US | disclosed |
| WO-1989011475-A1 | MACROCYCLIC CHELATES AND METHODS OF USE THEREOF | THE UNITED STATES OF AMERICA, AS REPRESENTED BY TH (US) | 1989-11-30 | — | — | WO | disclosed |