Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 6/20 | 0.38 |
| ▸ | CES1 | P23141 | 7/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL11680164 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CES2CES1TP53GMNN | |
| SCHEMBL11294459 | 0.76 | CES2 (0.45) | ALDH1A1CES2CES1TP53GMNN | |
| SCHEMBL6562270 | 0.74 | EPHX1 (0.44) | ALDH1A1CES2CES1TP53GMNN | |
| SCHEMBL28204335 | 0.71 | CES1 (0.38) | ALDH1A1CES2CES1TP53GMNN | |
| SCHEMBL11676757 | 0.70 | NOS3 (0.32) | NOS3NOS1NOS2 | |
| SCHEMBL8853371 | 0.70 | HSD17B10 (0.39) | ALDH1A1CES2CES1TP53GMNN | |
| SCHEMBL14653366 | 0.69 | — | — | |
| SCHEMBL11256112 | 0.68 | TSHR (0.36) | ALDH1A1CES2CES1TP53GMNN | |
| SCHEMBL10822669 | 0.68 | ALDH1A1 (0.41) | ALDH1A1CES2CES1TP53GMNN | |
| Hydrochloric Acid SCHEMBL10822670 | 0.68 | HSD17B10 (0.38) | ALDH1A1CES2CES1TP53GMNN |
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 |
|---|---|---|---|---|---|---|---|
| US-6399051-B2 | KERATIN REDUCING AGENT | WELLA AKTIENGESELLSCHAFT (DE) | 2002-06-04 | — | — | US | claimed |
| US-6790971-B1 | AMIDE OR CARBAMATE FUNCTION AT 11 BETA-POSITION; CLAIMED 3-ONE-DIENE INTERMEDIATE HAS HYDROXYMETHYLALKYL GROUP ON 11 POSITION; ANTIPROGESTOMIMETIC; HORMONE-DEPENDENT TUMORS; ANIMAL HUSBANDRY | AVENTIS PHARMA S.A. (FR) | 2004-09-14 | — | — | US | disclosed |
| US-5707982-A | ANTITUMOR | ROUSSEL UCLAF (FR) | 1998-01-13 | — | — | US | disclosed |