Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8982266 | 0.81 | CA1 (0.40) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1907069 | 0.78 | SNCA (0.44) | ESR1LMNACYP1A2CYP3A4OPRD1 | |
| SCHEMBL8466639 | 0.76 | CA1 (0.54) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8982221 | 0.76 | DHFR (0.40) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7768816 | 0.73 | CA1 (0.51) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8463477 | 0.73 | CYP3A4 (0.49) | CYP1A2CYP3A4ALDH1A1TDP1MEN1 | |
| Propene SCHEMBL27659896 | 0.73 | LMNA (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1663286 | 0.72 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9407717 | 0.72 | ALDH1A1 (0.40) | CYP1A2CYP3A4ALDH1A1TDP1KMT2A | |
| SCHEMBL4642692 | 0.72 | CA1 (0.61) | CA1CA2CA12CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0452660-B1 | L-glutamic acid derivatives | UNIV PRINCETON (US) | 1996-05-29 | — | — | EP | disclosed |
| EP-0452660-A2 | L-glutamic acid derivatives | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1991-10-23 | — | — | EP | disclosed |
| US-5013738-A | L-glutamic acid derivatives | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1991-05-07 | — | — | US | disclosed |