Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCND3 | P30281 | 1/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11069028 | 0.80 | ALDH1A1 (0.43) | CA12CA1CA2CA9TSHR | |
| SCHEMBL371069 | 0.76 | TSHR (0.54) | CCND3CDK6TSHRCYP1A2CYP2D6 | |
| Sulfur Dioxide SCHEMBL11107367 | 0.76 | ALDH1A1 (0.39) | CA12CA1CA2CA9TSHR | |
| SCHEMBL11065553 | 0.74 | SRD5A2 (0.42) | TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12967454 | 0.73 | KDM4E (0.43) | KDM4ESMN1; SMN2 | |
| SCHEMBL11061822 | 0.72 | CCND3 (0.41) | CCND3CDK6TSHRKDM4ENPC1 | |
| SCHEMBL11059137 | 0.72 | MAPT (0.40) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11065432 | 0.72 | HPGDS (0.44) | TSHRPOLBKDM4ENPC1RAB9A | |
| SCHEMBL11061350 | 0.72 | CES2 (0.42) | TSHRPOLBNPC1SMN1; SMN2 | |
| Hexane SCHEMBL11060778 | 0.71 | PTGS2 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4458081-A | ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, MUSCLE RELAXANT | SYNTEX (U.S.A.) INC. (US) | 1984-07-03 | — | — | US | disclosed |
| US-4454326-A | 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates | SYNTEX (U.S.A.) INC. (US) | 1984-06-12 | — | — | US | disclosed |
| US-4347187-A | Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein | SYNTEX (U.S.A.) INC. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4347186-A | Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein | SYNTEX (U.S.A.) INC. (US) | 1982-08-31 | — | — | US | disclosed |