Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8821733 | 0.86 | ESR1 (0.56) | ESR1ALDH1A1TDP1LMNACYP1A2 | |
| SCHEMBL3647689 | 0.84 | ESR1 (0.66) | ESR1ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL10946509 | 0.83 | ESR1 (0.61) | ESR1ALDH1A1TDP1LMNACYP1A2 | |
| SCHEMBL17287403 | 0.83 | ESR1 (0.61) | ESR1ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL17542258 | 0.83 | ESR1 (0.61) | ESR1ALDH1A1TDP1LMNACYP1A2 | |
| SCHEMBL25063309 | 0.81 | ESR1 (0.58) | ESR1ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL3085325 | 0.81 | VCAM1 (0.59) | ALDH1A1LMNAMAPTRAB9AKMT2A | |
| SCHEMBL16016753 | 0.81 | ESR1 (0.55) | ESR1ALDH1A1TDP1LMNACYP1A2 | |
| SCHEMBL11495159 | 0.81 | ESR1 (0.57) | ESR1ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL17287371 | 0.81 | ESR1 (0.58) | ESR1ALDH1A1TDP1LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0751765-B1 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA INC (US) | 2003-05-07 | — | — | EP | disclosed |
| EP-0766826-B1 | SYNTHESIS OF COMBINATORIAL LIBRARIES | PHARMACOPEIA INC (US) | 2002-05-22 | — | — | EP | disclosed |
| US-5756810-A | Process of preparing 3-nitro benzoate compounds in lower alkanol | PHARMACOPEIA, INC. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5663046-A | DIRECTLY DIVIDING THE CONTENTS OF EACH SUB-POOL INTO THE SUB-POOLS FOR THE NEXT STEP IN THE SYNTHETIC SCHEME REDUCES THE CALCULABLE ERROR FROM THE THAT OF SPLIT SYNTHESIS | PHARMACOPEIA, INC. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5618825-A | ENZYME INHIBITORS; ANTICOAGULANTS; VISION DISORDERS | PHARMACOPEIA, INC. (US) | 1997-04-08 | — | — | US | disclosed |