Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18801247 | 0.79 | ESR1 (0.41) | IDO1AGXTTAAR1ALDH1A1ALOX15 | |
| SCHEMBL183751 | 0.79 | SLC6A2 (0.57) | IDO1AGXTTAAR1ALDH1A1CYP3A4 | |
| SCHEMBL11092821 | 0.78 | IDO1 (0.41) | IDO1AGXTTAAR1ALDH1A1CYP3A4 | |
| SCHEMBL24534352 | 0.78 | CA2 (0.50) | ALDH1A1CYP3A4TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL1648005 | 0.78 | CA2 (0.50) | ALDH1A1CYP3A4TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL27873824 | 0.78 | CA2 (0.50) | ALDH1A1CYP3A4TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL14376105 | 0.78 | LOXL2 (0.40) | IDO1AGXTTAAR1SLC6A4MAOB | |
| Hydrochloric Acid SCHEMBL3800374 | 0.77 | SLC6A2 (0.55) | IDO1AGXTTAAR1ALDH1A1CYP3A4 | |
| SCHEMBL3832287 | 0.77 | SLC6A2 (0.59) | TAAR1ALDH1A1CYP3A4TP53ALOX15 | |
| Bromide SCHEMBL28700901 | 0.77 | SLC6A2 (0.55) | IDO1AGXTTAAR1ALDH1A1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63255255-A | — | — | None | — | — | JP | disclosed |
| US-5238955-A | Anticarcinogenic agents | ASTA PHARMA AG (DE) | 1993-08-24 | — | — | US | disclosed |
| US-5194644-A | Antitumor agents; treatment of leukemia | ASTA PHARMA AG (DE) | 1993-03-16 | — | — | US | disclosed |
| EP-0451753-A1 | In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines | ASTA Medica Aktiengesellschaft (DE) | 1991-10-16 | — | — | EP | disclosed |
| JP-S63255255-A | PRODUCTION OF OPTICALLY ACTIVE ALPHA-METHYLOSIN | NIPPON KAYAKU CO LTD | 1988-10-21 | — | — | JP | disclosed |