Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL27593208 | 0.82 | HTT (0.46) | MAPTSMN1; SMN2HPGDRAB9ACYP2D6 | |
| SCHEMBL18087973 | 0.81 | HTT (0.58) | MAPTSMN1; SMN2HPGDRAB9ACYP2D6 | |
| SCHEMBL5407163 | 0.81 | HTT (0.58) | MAPTSMN1; SMN2HPGDRAB9ACYP2D6 | |
| SCHEMBL30235266 | 0.81 | HTT (0.58) | MAPTSMN1; SMN2HPGDRAB9ACYP2D6 | |
| SCHEMBL2002273 | 0.79 | MAPT (0.55) | MAPTSMN1; SMN2HPGDRAB9ACYP2D6 | |
| SCHEMBL28614014 | 0.79 | HTT (0.45) | MAPTSMN1; SMN2HPGDRAB9ACYP2D6 | |
| SCHEMBL3696729 | 0.79 | S1PR4 (0.56) | MAPTSMN1; SMN2HPGDRAB9ACYP2D6 | |
| SCHEMBL3702075 | 0.79 | RAB9A (0.60) | MAPTSMN1; SMN2HPGDRAB9ACYP2D6 | |
| SCHEMBL5642158 | 0.78 | RAB9A (0.45) | MAPTSMN1; SMN2RAB9ACYP2D6NPC1 | |
| SCHEMBL14101860 | 0.77 | ERN1 (0.50) | MAPTSMN1; SMN2HPGDRAB9ACYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109422737-B | Imidazolone androgen receptor antagonist, preparation method and application thereof | 上海时莱生物技术有限公司 | 2021-07-30 | — | — | CN | disclosed |
| WO-2019037742-A1 | IMIDAZOLONE ANDROGEN RECEPTOR ANTAGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海时莱生物技术有限公司 | 2019-02-28 | — | — | WO | disclosed |