Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28036818 | 0.89 | TAAR1 (0.60) | TAAR1IDO1AGXTMAOBMIF | |
| SCHEMBL3300303 | 0.83 | TAAR1 (0.60) | TAAR1IDO1AGXTMAOBMIF | |
| SCHEMBL7205931 | 0.82 | TAAR1 (0.52) | TAAR1IDO1AGXTMAOBMIF | |
| SCHEMBL21384149 | 0.82 | MAOB (0.59) | TAAR1IDO1AGXTMAOBCYP3A4 | |
| SCHEMBL29442846 | 0.82 | MAOB (0.59) | TAAR1IDO1AGXTMAOBCYP3A4 | |
| SCHEMBL295465 | 0.81 | CYP3A4 (0.61) | RAB9ACYP3A4KDM4EMEN1POLB | |
| SCHEMBL29799746 | 0.81 | CYP3A4 (0.61) | RAB9ACYP3A4KDM4EMEN1POLB | |
| SCHEMBL1599764 | 0.80 | CYP19A1 (0.53) | MAOBRAB9ACYP3A4KDM4EMEN1 | |
| SCHEMBL3187102 | 0.79 | CALM1 (0.55) | MAOBRAB9ACYP3A4KDM4EMEN1 | |
| SCHEMBL7929350 | 0.79 | TAAR1 (0.52) | TAAR1IDO1AGXTMAOBMIF |
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 |
|---|---|---|---|---|---|---|---|
| CN-105026393-A | Cdk9 kinase inhibitors | ABBVIE INC | 2015-11-04 | — | — | CN | disclosed |