Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL5962854 | 0.87 | ALDH1A1 (0.54) | AKR1C3ALDH1A1SRD5A2NPSR1MYC | |
| SCHEMBL11227044 | 0.76 | AKR1C3 (0.57) | AKR1C3ALDH1A1SRD5A2NPSR1MYC | |
| SCHEMBL27675884 | 0.76 | AKR1C3 (0.57) | AKR1C3ALDH1A1SRD5A2NPSR1MYC | |
| SCHEMBL1666971 | 0.76 | ALDH1A1 (0.50) | AKR1C3ALDH1A1NPSR1MYCCES2 | |
| SCHEMBL10598245 | 0.75 | METAP2 (0.41) | AKR1C3ALDH1A1NAPRTLMNATDP1 | |
| SCHEMBL936574 | 0.75 | TDP1 (0.52) | ALDH1A1MYCPOLBHPGDTDP1 | |
| SCHEMBL27655427 | 0.75 | TDP1 (0.39) | ALDH1A1TSHRHPGDTDP1L3MBTL1 | |
| SCHEMBL3039645 | 0.74 | ALDH1A1 (0.59) | AKR1C3ALDH1A1SRD5A2MYCCES2 | |
| SCHEMBL11491965 | 0.73 | ALDH1A1 (0.52) | ALDH1A1SRD5A2CES2CES1LMNA | |
| SCHEMBL350625 | 0.73 | MYC (0.62) | AKR1C3ALDH1A1NPSR1MYCPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0825187-A1 | Condensed pyridazinyl guanidines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |