Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8584092 | 0.90 | ALDH1A1 (0.33) | HSD17B10TDP1TSHRMEN1KMT2A | |
| SCHEMBL11148086 | 0.82 | SLC6A2 (0.38) | ALDH1A1MAPTCYP1A2CYP2C19 | |
| SCHEMBL6205052 | 0.75 | TDP1 (0.42) | HSD17B10TDP1TSHRMEN1KMT2A | |
| SCHEMBL4872833 | 0.74 | ALDH1A1 (0.53) | HSD17B10TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8818395 | 0.74 | ALDH1A1 (0.53) | HSD17B10TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7932126 | 0.74 | ALDH1A1 (0.33) | TDP1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL456245 | 0.74 | TDP1 (0.44) | HSD17B10TDP1TSHRMEN1KMT2A | |
| SCHEMBL5585097 | 0.74 | TDP1 (0.41) | HSD17B10TDP1TSHRMEN1KMT2A | |
| SCHEMBL1173928 | 0.71 | TDP1 (0.41) | HSD17B10TDP1TSHRMEN1KMT2A | |
| SCHEMBL831218 | 0.70 | TDP1 (0.37) | HSD17B10TDP1TSHRMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912170-A4 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO INC (US) | 2003-04-09 | — | — | EP | disclosed |
| EP-0912170-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | Merck & Co., Inc. (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997040825-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1997-11-06 | — | — | WO | disclosed |