Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10069358 | 0.92 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTSMN1; SMN2POLB | |
| SCHEMBL10069323 | 0.81 | KDM4E (0.49) | ALDH1A1KDM4EMAPTSMN1; SMN2POLB | |
| SCHEMBL643450 | 0.81 | KDM4E (0.49) | ALDH1A1KDM4EMAPTSMN1; SMN2POLB | |
| SCHEMBL10069338 | 0.78 | KDM4E (0.47) | ALDH1A1KDM4EMAPTSMN1; SMN2POLB | |
| SCHEMBL10069046 | 0.77 | KDM4E (0.46) | ALDH1A1KDM4EMAPTSMN1; SMN2POLB | |
| SCHEMBL30546095 | 0.77 | PARP1 (0.42) | ALDH1A1KDM4EMAPTSMN1; SMN2PTGS2 | |
| SCHEMBL12283422 | 0.77 | PARP1 (0.42) | ALDH1A1KDM4EMAPTSMN1; SMN2PTGS2 | |
| SCHEMBL10069020 | 0.74 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPTSMN1; SMN2POLB | |
| SCHEMBL28775369 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTSMN1; SMN2POLB | |
| SCHEMBL30884588 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTSMN1; SMN2POLB |
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-2012019428-A1 | BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |