Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 2/20 | 0.39 |
| ▸ | RXRB | P28702 | 2/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5973107 | 0.85 | CA1 (0.44) | TSHRKMT2ACA1CA2ALDH1A1 | |
| SCHEMBL8809114 | 0.83 | MAPT (0.46) | NR1H4CA1CA2ALDH1A1MAPK1 | |
| SCHEMBL2853358 | 0.81 | HSD17B10 (0.45) | KMT2AHPGDALDH1A1RXRB | |
| SCHEMBL17111856 | 0.81 | RXRA (0.41) | NR1H4TSHRCA2HPGDALDH1A1 | |
| SCHEMBL3456743 | 0.80 | CXCR1 (0.41) | NR1H4TSHRSMN1; SMN2RXRARXRB | |
| SCHEMBL2298491 | 0.80 | ESR1 (0.40) | TSHRHPGDALDH1A1SMN1; SMN2TYR | |
| SCHEMBL7285200 | 0.77 | CA2 (0.34) | CA2CA4CA5A | |
| SCHEMBL7900149 | 0.77 | — | — | |
| SCHEMBL7262932 | 0.77 | — | — | |
| SCHEMBL7277057 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0751144-B1 | Novel anthracycline prodrugs, method for preparation as well as their use in selective chemotherapy | PHARMACHEMIE BV (NL) | 2004-10-06 | — | — | EP | disclosed |
| US-5710135-A | ENZYMATICALLY CLEAVABLE; ANTITUMOR AGENTS | PHARMACHEMIE B.V. (NL) | 1998-01-20 | — | — | US | disclosed |
| EP-0751144-A1 | Novel anthracycline prodrugs, method for preparation as well as their use in selective chemotherapy | PHARMACHEMIE B.V. (NL) | 1997-01-02 | — | — | EP | disclosed |
| EP-0236880-B1 | Penem derivatives | ERBA CARLO SPA (IT) | 1994-07-20 | — | — | EP | disclosed |
| US-4886793-A | PENICILLINS; HUMANS OR ANIMALS | FARMITALIA CARLO ERBA, S.R.L. (IT) | 1989-12-12 | — | — | US | disclosed |
| EP-0236880-A2 | Penem derivatives | FARMITALIA CARLO ERBA S.r.l. (IT) | 1987-09-16 | — | — | EP | disclosed |