Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL924522 | 0.72 | MEN1 (0.60) | KMT2AMEN1RAB9ANPC1CYP1A2 | |
| SCHEMBL914606 | 0.72 | MEN1 (0.60) | KMT2AMEN1RAB9ANPC1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9618643 | 0.71 | MEN1 (0.58) | KMT2AMEN1RAB9ANPC1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9618642 | 0.71 | MEN1 (0.58) | KMT2AMEN1RAB9ANPC1CYP1A2 | |
| Phenylthiosemicarbazone SCHEMBL674762 | 0.69 | KDM4E (0.81) | ALDH1A1LMNAKDM4EPOLB | |
| Phenylsemicarbazone SCHEMBL9018897 | 0.69 | MEN1 (0.71) | KMT2AMEN1RAB9ANPC1CYP1A2 | |
| Phenylthiosemicarbazone SCHEMBL674761 | 0.69 | KDM4E (0.81) | ALDH1A1LMNAKDM4EPOLB | |
| Phenylsemicarbazone SCHEMBL11882629 | 0.69 | MEN1 (0.71) | KMT2AMEN1RAB9ANPC1CYP1A2 | |
| SCHEMBL7594903 | 0.68 | MEN1 (0.64) | KMT2AMEN1RAB9ANPC1CYP1A2 | |
| SCHEMBL9458104 | 0.68 | MEN1 (0.64) | KMT2AMEN1RAB9ANPC1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011082271-A2 | SUBSTITUTED TRIAZOLO-PYRIMIDINE COMPOUNDS | ARQULE, INC. (US) | 2011-07-07 | — | — | WO | disclosed |