Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.38 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL965000 | 0.91 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4KDM4ETDP1 | |
| SCHEMBL9496210 | 0.91 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4KDM4ETDP1 | |
| SCHEMBL28675871 | 0.91 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4KDM4ETDP1 | |
| SCHEMBL19102876 | 0.86 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP3A4TDP1GNAI3 | |
| SCHEMBL197248 | 0.84 | ALDH1A1 (0.67) | ALDH1A1TSHRCYP3A4KDM4ETDP1 | |
| SCHEMBL29057251 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TSHRCYP3A4KDM4ETDP1 | |
| SCHEMBL16265098 | 0.82 | ANPEP (0.49) | ALDH1A1TSHRGNAI3GNAO1GNAI1 | |
| SCHEMBL7785935 | 0.82 | ALDH1A1 (0.75) | ALDH1A1TSHRCYP3A4KDM4ETDP1 | |
| SCHEMBL7884018 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4KDM4ETDP1 | |
| SCHEMBL28358371 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4KDM4ETDP1 |
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-0273342-B1 | 1,3-BIS-SUBSTITUTED-2-PROPANOL DERIVATIVES CONTAINING AMINO GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |
| US-4885392-A | Derivatives of 1,3-bissubstituted 2-propanol containing amino groups, methods for their preparation and their use | HOECHST AG (DE) | 1989-12-05 | — | — | US | disclosed |
| EP-0273342-A1 | 1,3-Bis-substituted-2-propanol derivatives containing amino groups, processes for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-07-06 | — | — | EP | disclosed |