Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30487115 | 1.00 | HPGD (0.42) | HPGDALDH1A1TDP1TSHRLMNA | |
| SCHEMBL9001562 | 0.82 | ALDH1A1 (0.40) | HPGDALDH1A1TDP1TSHRLMNA | |
| SCHEMBL1491739 | 0.79 | CYP3A4 (0.48) | HPGDALDH1A1TDP1TSHRSMN1; SMN2 | |
| SCHEMBL19288739 | 0.79 | TSHR (0.45) | HPGDALDH1A1TDP1TSHRLMNA | |
| SCHEMBL12810877 | 0.79 | HDAC1 (0.44) | HPGDALDH1A1TSHRLMNAKMT2A | |
| SCHEMBL20094078 | 0.79 | HPGD (0.38) | HPGDALDH1A1TSHRLMNAPOLB | |
| SCHEMBL10706767 | 0.78 | ALDH1A1 (0.37) | HPGDALDH1A1TDP1TSHRLMNA | |
| SCHEMBL968908 | 0.78 | LMNA (0.56) | HPGDALDH1A1TDP1TSHRLMNA | |
| SCHEMBL11097758 | 0.78 | ALDH1A1 (0.37) | HPGDALDH1A1TDP1TSHRLMNA | |
| SCHEMBL3347914 | 0.78 | ALDH1A1 (0.46) | HPGDALDH1A1TDP1TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021004535-A1 | CINNOLINES AS INHIBITORS OF HPK 1 | NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) | 2021-01-14 | — | — | WO | disclosed |
| WO-2009143389-A1 | PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS | ARIAD PHARMACEUTICALS, INC. (US) | 2009-11-26 | — | — | WO | disclosed |