Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11111392 | 1.00 | ALDH1A1 (0.53) | ALDH1A1TDP1GPR35TSHRRECQL | |
| SCHEMBL6136622 | 0.84 | GPR35 (0.57) | ALDH1A1TDP1GPR35TSHRRECQL | |
| SCHEMBL29603881 | 0.82 | TDP1 (0.71) | ALDH1A1TDP1GPR35TSHRRECQL | |
| SCHEMBL1161927 | 0.82 | TDP1 (0.71) | ALDH1A1TDP1GPR35TSHRRECQL | |
| Ammonia Solution, Strong SCHEMBL27735242 | 0.81 | TSHR (0.68) | ALDH1A1TDP1GPR35TSHRKMT2A | |
| SCHEMBL28220465 | 0.81 | GPR35 (0.58) | ALDH1A1TDP1GPR35TSHRRECQL | |
| SCHEMBL6558521 | 0.81 | GPR35 (0.53) | ALDH1A1TDP1GPR35TSHRRECQL | |
| SCHEMBL6964418 | 0.81 | GPR35 (0.53) | ALDH1A1TDP1GPR35TSHRRECQL | |
| SCHEMBL9332762 | 0.81 | GPR35 (0.53) | ALDH1A1TDP1GPR35TSHRRECQL | |
| SCHEMBL11889508 | 0.79 | GPR35 (0.52) | ALDH1A1TDP1GPR35TSHRRECQL |
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-4479964-A | CONTRACEPTIVES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1984-10-30 | — | — | US | disclosed |
| US-4408060-A | UTERO-EVACUANTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1983-10-04 | — | — | US | disclosed |
| US-4176188-A | SUBSTITUTED OXEPANE | ORTHO PHARMACEUTICAL CORP. (US) | 1979-11-27 | — | — | US | disclosed |